+++ /dev/null
-#
-# Directories, edit to match your site
-#
-
-# This should be your Gromacs directory, edit if necessary
-export GMXHOME=/gmx
-
-#
-export GMXCPU=win
-
-# Some directories that live below the root
-export GMXBIN=$GMXHOME/bin/$GMXCPU
-export GMXLIB=$GMXHOME/top
-
-# Default Graphics Font for ngmx
-export GMXFONT=10x20
-
-# Set the path
-export PATH="$PATH":"$GMXBIN"
-
-# Now finally, if you consider our Cool Quotes to be offensive
-# you might consider commenting out the following line:
-export IAMCOOL=YES
-
-# end of script
--- /dev/null
+
+ Welcome to GROMACS 3.0!
+
+
+From version 3.0, the compile and install procedure has been
+changed to simplify things for you. We now use a standard
+autoconf script and makefiles created by automake, like most
+GNU programs. This means your normal installation actions are
+limited to:
+
+./configure
+make
+make install (libraries & binaries)
+make install-data (architecture-independent files)
+
+That's it! Most compiler flags and required libraries are checked
+automatically by configure, and it will tell you if something is
+missing. The default installation location is /usr/local/gromacs
+(change it with --prefix).
+
+The FFTW library has been removed from the distribution since it
+is not part of our package, but it is very easy to install separately
+if it is not already present (However, the default FFTW setup is
+double precision. For Gromacs you probably want to change this to
+single with --enable-float. It is a good idea to install both single
+and double precision FFTW.). You can find links to the software you
+need through the GROMACS homepage at http://md.chem.rug.nl/~gmx/
+
+If you install FFTW in your homedirectory or some other place where
+it isn't found automatically (not all systems search /usr/local)
+by the compiler you should set the environment variables before
+executing configure. Assume we configured and installed FFTW with
+--prefix=/home/erik/fftw. If your shell is tcsh, you set
+
+setenv CPPFLAGS -I/home/erik/fftw/include
+setenv LDFLAGS -L/home/erik/fftw/lib
+
+or, if you are using a bash shell:
+
+export CPPFLAGS=-I/home/erik/fftw/include
+export LDFLAGS=-L/home/erik/fftw/lib
+
+...and then you run the Gromacs configure script. Similarly, if you
+don't like the compilers configure selects, just set them with
+the variables CC and/or F77 (MPICC for an MPI compiler).
+
+Once installed, you can link the Gromacs executables to e.g.
+/usr/local/bin if you want all users to have them in their path.
+
+Typing ./configure --help will give you some options like compiling
+for parallel runs using MPI. Not all architecture use the fast
+fortran loops per default, so if you know you have a fast fortan
+compiler you should check that option. It won't have much effect
+for modern x86 boxes though, since these use assembly innerloops.
+
+For instance, if you want to run in parallel on a dedicated machine
+we need MPI and want to disable the normal low-priority of mdrun.
+To create only this mdrun binary you write:
+
+make clean
+./configure --enable-mpi --disable-nice
+make mdrun
+make install-mdrun
+
+Note that the special mdrun_install instruction will rename the
+binary to mdrun_mpi when using mpi. If you only want to create
+the MPI version of the package you can just issue the normal
+make commands. This can also be useful to have e.g. a general
+version of gromacs for analysis in the main binary directory, and
+then subdirectories with only an optimized mdrun for each cpu.
+
+You can find more installation information on the GROMACS homepage
+if you have any problems, and don't hesitate to contact us if you
+find any bugs in the configuration. The architecture names have
+been expanded and are almost identical to the GNU ones, but where
+it is possible we have added a more detailed processor
+specification to enable higher optimization.
+
+If you want to do development on several architectures, you should
+use a version of make that support VPATH (we suggest GNU make)
+and create a new directory to contain the object files for this
+architecture (e.g. obj/i686). Then run configure from this new
+directory (../../configure) - you might have to make distclean first.
+This way you keep all your object files (speeds up compiles) and
+change architecture by switching to a different object directory.
+
+ Good luck compiling and running!
+
+ THE GROMACS CREW
+
+ gromacs@chem.rug.nl
+
+
+
+---------------------------------------------------------------------
+
+These are generic install instructions from autoconf:
+
+ The `configure' shell script attempts to guess correct values for
+various system-dependent variables used during compilation. It uses
+those values to create a `Makefile' in each directory of the package.
+It may also create one or more `.h' files containing system-dependent
+definitions. Finally, it creates a shell script `config.status' that
+you can run in the future to recreate the current configuration, a file
+`config.cache' that saves the results of its tests to speed up
+reconfiguring, and a file `config.log' containing compiler output
+(useful mainly for debugging `configure').
+
+ If you need to do unusual things to compile the package, please try
+to figure out how `configure' could check whether to do them, and mail
+diffs or instructions to the address given in the `README' so they can
+be considered for the next release. If at some point `config.cache'
+contains results you don't want to keep, you may remove or edit it.
+
+ The file `configure.in' is used to create `configure' by a program
+called `autoconf'. You only need `configure.in' if you want to change
+it or regenerate `configure' using a newer version of `autoconf'.
+
+The simplest way to compile this package is:
+
+ 1. `cd' to the directory containing the package's source code and type
+ `./configure' to configure the package for your system. If you're
+ using `csh' on an old version of System V, you might need to type
+ `sh ./configure' instead to prevent `csh' from trying to execute
+ `configure' itself.
+
+ Running `configure' takes awhile. While running, it prints some
+ messages telling which features it is checking for.
+
+ 2. Type `make' to compile the package.
+
+ 3. Optionally, type `make check' to run any self-tests that come with
+ the package.
+
+ 4. Type `make install' to install the programs and any data files and
+ documentation.
+
+ 5. You can remove the program binaries and object files from the
+ source code directory by typing `make clean'. To also remove the
+ files that `configure' created (so you can compile the package for
+ a different kind of computer), type `make distclean'. There is
+ also a `make maintainer-clean' target, but that is intended mainly
+ for the package's developers. If you use it, you may have to get
+ all sorts of other programs in order to regenerate files that came
+ with the distribution.
+
+Compilers and Options
+=====================
+
+ Some systems require unusual options for compilation or linking that
+the `configure' script does not know about. You can give `configure'
+initial values for variables by setting them in the environment. Using
+a Bourne-compatible shell, you can do that on the command line like
+this:
+ CC=c89 CFLAGS=-O2 LIBS=-lposix ./configure
+
+Or on systems that have the `env' program, you can do it like this:
+ env CPPFLAGS=-I/usr/local/include LDFLAGS=-s ./configure
+
+Compiling For Multiple Architectures
+====================================
+
+ You can compile the package for more than one kind of computer at the
+same time, by placing the object files for each architecture in their
+own directory. To do this, you must use a version of `make' that
+supports the `VPATH' variable, such as GNU `make'. `cd' to the
+directory where you want the object files and executables to go and run
+the `configure' script. `configure' automatically checks for the
+source code in the directory that `configure' is in and in `..'.
+
+ If you have to use a `make' that does not supports the `VPATH'
+variable, you have to compile the package for one architecture at a time
+in the source code directory. After you have installed the package for
+one architecture, use `make distclean' before reconfiguring for another
+architecture.
+
+Installation Names
+==================
+
+ By default, `make install' will install the package's files in
+`/usr/local/bin', `/usr/local/man', etc. You can specify an
+installation prefix other than `/usr/local' by giving `configure' the
+option `--prefix=PATH'.
+
+ You can specify separate installation prefixes for
+architecture-specific files and architecture-independent files. If you
+give `configure' the option `--exec-prefix=PATH', the package will use
+PATH as the prefix for installing programs and libraries.
+Documentation and other data files will still use the regular prefix.
+
+ In addition, if you use an unusual directory layout you can give
+options like `--bindir=PATH' to specify different values for particular
+kinds of files. Run `configure --help' for a list of the directories
+you can set and what kinds of files go in them.
+
+ If the package supports it, you can cause programs to be installed
+with an extra prefix or suffix on their names by giving `configure' the
+option `--program-prefix=PREFIX' or `--program-suffix=SUFFIX'.
+
+Optional Features
+=================
+
+ Some packages pay attention to `--enable-FEATURE' options to
+`configure', where FEATURE indicates an optional part of the package.
+They may also pay attention to `--with-PACKAGE' options, where PACKAGE
+is something like `gnu-as' or `x' (for the X Window System). The
+`README' should mention any `--enable-' and `--with-' options that the
+package recognizes.
+
+ For packages that use the X Window System, `configure' can usually
+find the X include and library files automatically, but if it doesn't,
+you can use the `configure' options `--x-includes=DIR' and
+`--x-libraries=DIR' to specify their locations.
+
+Specifying the System Type
+==========================
+
+ There may be some features `configure' can not figure out
+automatically, but needs to determine by the type of host the package
+will run on. Usually `configure' can figure that out, but if it prints
+a message saying it can not guess the host type, give it the
+`--host=TYPE' option. TYPE can either be a short name for the system
+type, such as `sun4', or a canonical name with three fields:
+ CPU-COMPANY-SYSTEM
+
+See the file `config.sub' for the possible values of each field. If
+`config.sub' isn't included in this package, then this package doesn't
+need to know the host type.
+
+ If you are building compiler tools for cross-compiling, you can also
+use the `--target=TYPE' option to select the type of system they will
+produce code for and the `--build=TYPE' option to select the type of
+system on which you are compiling the package.
+
+Sharing Defaults
+================
+
+ If you want to set default values for `configure' scripts to share,
+you can create a site shell script called `config.site' that gives
+default values for variables like `CC', `cache_file', and `prefix'.
+`configure' looks for `PREFIX/share/config.site' if it exists, then
+`PREFIX/etc/config.site' if it exists. Or, you can set the
+`CONFIG_SITE' environment variable to the location of the site script.
+A warning: not all `configure' scripts look for a site script.
+
+Operation Controls
+==================
+
+ `configure' recognizes the following options to control how it
+operates.
+
+`--cache-file=FILE'
+ Use and save the results of the tests in FILE instead of
+ `./config.cache'. Set FILE to `/dev/null' to disable caching, for
+ debugging `configure'.
+
+`--help'
+ Print a summary of the options to `configure', and exit.
+
+`--quiet'
+`--silent'
+`-q'
+ Do not print messages saying which checks are being made. To
+ suppress all normal output, redirect it to `/dev/null' (any error
+ messages will still be shown).
+
+`--srcdir=DIR'
+ Look for the package's source code in directory DIR. Usually
+ `configure' can determine that directory automatically.
+
+`--version'
+ Print the version of Autoconf used to generate the `configure'
+ script, and exit.
+
+`configure' also accepts some other, not widely useful, options.
+
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+AUTOMAKE_OPTIONS = foreign
+
+#
+# The real work is done in our subdirs
+#
+SUBDIRS = src top html tutor
+
+mdrun:
+ (cd ${top_builddir}/src/gmxlib && $(MAKE))
+ (cd ${top_builddir}/src/mdlib && $(MAKE))
+ (cd ${top_builddir}/src/kernel && $(MAKE) mdrunXXX_SUFFIX_XXX)
+
+install-mdrun:
+ (cd ${top_builddir}/src/kernel && $(MAKE) install-mdrun)
+
+CLEANFILES = *~ \\\#*
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+++ /dev/null
-# remove all environment variables set by GMXRC
-
-setenv bVerb 1
-if ( "$1" == "-quiet" ) setenv bVerb 0
-
-if ($bVerb) echo "Being loud and noisy"
-
-if ( $shell == "/bin/tcsh" ) then
- if ( $?GMXBIN ) then
- if ( -d $GMXBIN ) then
- if ( $bVerb ) echo "uncomplete all GROMACS programs"
- foreach f ( `\ls $GMXBIN` )
- uncomplete $f
- end
- endif
- endif
-endif
-
-if ( ($?LD_LIBRARY_PATH) && ($?GMXHOME) && (($?GMXCPU) || ($?CPU)) ) then
- if ( (! $?GMXCPU) && ($?CPU) ) then
- setenv GMXCPU $CPU
- endif
- unsetenv TEMPPATH
- unsetenv PATHSET
- foreach i ( `echo $LD_LIBRARY_PATH | sed "s/:/ /g"` )
- setenv PATHSET
- if ( ( "$i" != "$GMXHOME/lib/$GMXCPU" ) && ( "$i/" != "$GMXHOME/lib/$GMXCPU" ) ) then
- if ( ! $?TEMPPATH ) then
- setenv TEMPPATH $i
- else
- setenv TEMPPATH "$TEMPPATH":"$i"
- endif
- else
- if ( $bVerb ) echo "Removed $GMXHOME/lib/$GMXCPU from LD_LIBRARY_PATH"
- endif
- end
- if ($?PATHSET) then
- if (! $?TEMPPATH) setenv TEMPPATH
- setenv LD_LIBRARY_PATH $TEMPPATH
- unsetenv TEMPPATH
- unsetenv PATHSET
- else
- echo "You might want to remove $GMXHOME/lib/$GMXCPU from LD_LIBRARY_PATH"
- endif
-endif
-
-if ($?GMXCPU) then
- if ( $bVerb ) echo "unsetenv GMXCPU ($GMXCPU)"
- unsetenv GMXCPU
-endif
-
-if ($?GMXLIB) then
- if ( $bVerb ) echo "unsetenv GMXLIB ($GMXLIB)"
- unsetenv GMXLIB
-endif
-
-if ( ($?GMXMAN) && ($?MANPATH) ) then
- if ($MANPATH == $GMXMAN) then
- unsetenv MANPATH
- else
- if ( $bVerb ) echo "You might want to remove $GMXMAN ("\$"GMXMAN) from "\$"MANPATH"
- endif
-endif
-
-if ($?GMXMAN) then
- if ( $bVerb ) echo "unsetenv GMXMAN ($GMXMAN)"
- unsetenv GMXMAN
-endif
-
-if ($?GMXHOME) then
- if ( $bVerb ) echo "unsetenv GMXHOME ($GMXHOME)"
- unsetenv GMXHOME
-endif
-
-if ($?GMXROOT) then
- if ( $bVerb ) echo "unsetenv GMXROOT ($GMXROOT)"
- unsetenv GMXROOT
-endif
-
-if ( ($?GMXBIN) && ($?PATH) ) then
- foreach i ( $path )
- if ( ( "$i" != "$GMXBIN" ) && ( "$i/" != "$GMXBIN" ) ) then
- if ( ! $?TEMPPATH ) then
- setenv TEMPPATH $i
- else
- setenv TEMPPATH "$TEMPPATH":"$i"
- endif
- else
- if ( $bVerb ) echo Removed $GMXBIN from path
- endif
- end
- if (! $?TEMPPATH) setenv TEMPPATH
- setenv PATH $TEMPPATH
- unsetenv TEMPPATH
-endif
-
-if ($?GMXBIN) then
- if ( $bVerb ) echo "unsetenv GMXBIN ($GMXBIN)"
- unsetenv GMXBIN
-endif
-if ($?VER) then
- if ( $bVerb ) echo "unsetenv VER ($VER)"
- unsetenv VER
-endif
-if ($?GMXVER) then
- if ( $bVerb ) echo "unsetenv GMXVER ($GMXVER)"
- unsetenv GMXVER
-endif
-if ($?GMXNPRI) then
- if ( $bVerb ) echo "unsetenv GMXNPRI ($GMXNPRI)"
- unsetenv GMXNPRI
-endif
-if ($?GMXFONT) then
- if ( $bVerb ) echo "unsetenv GMXFONT ($GMXFONT)"
- unsetenv GMXFONT
-endif
-if ($?AMBBIN) then
- if ( $bVerb ) echo "unsetenv AMBBIN ($AMBBIN)"
- unsetenv AMBBIN
-endif
-if ($?IAMCOOL) then
- if ( $bVerb ) echo "unsetenv IAMCOOL ($IAMCOOL)"
- unsetenv IAMCOOL
-endif
-
-#last line
--- /dev/null
+#! /bin/sh
+# Attempt to guess a canonical system name.
+# Copyright (C) 1992, 1993, 1994, 1995, 1996, 1997, 1998, 1999, 2000
+# Free Software Foundation, Inc.
+
+timestamp='2000-12-21'
+
+# This file is free software; you can redistribute it and/or modify it
+# under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2 of the License, or
+# (at your option) any later version.
+#
+# This program is distributed in the hope that it will be useful, but
+# WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+# General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+#
+# As a special exception to the GNU General Public License, if you
+# distribute this file as part of a program that contains a
+# configuration script generated by Autoconf, you may include it under
+# the same distribution terms that you use for the rest of that program.
+
+# Written by Per Bothner <bothner@cygnus.com>.
+# Please send patches to <config-patches@gnu.org>.
+#
+# This script attempts to guess a canonical system name similar to
+# config.sub. If it succeeds, it prints the system name on stdout, and
+# exits with 0. Otherwise, it exits with 1.
+#
+# The plan is that this can be called by configure scripts if you
+# don't specify an explicit build system type.
+#
+# Only a few systems have been added to this list; please add others
+# (but try to keep the structure clean).
+#
+
+me=`echo "$0" | sed -e 's,.*/,,'`
+
+usage="\
+Usage: $0 [OPTION]
+
+Output the configuration name of the system \`$me' is run on.
+
+Operation modes:
+ -h, --help print this help, then exit
+ -t, --time-stamp print date of last modification, then exit
+ -v, --version print version number, then exit
+
+Report bugs and patches to <config-patches@gnu.org>."
+
+version="\
+GNU config.guess ($timestamp)
+
+Originally written by Per Bothner.
+Copyright (C) 1992, 93, 94, 95, 96, 97, 98, 99, 2000
+Free Software Foundation, Inc.
+
+This is free software; see the source for copying conditions. There is NO
+warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE."
+
+help="
+Try \`$me --help' for more information."
+
+# Parse command line
+while test $# -gt 0 ; do
+ case $1 in
+ --time-stamp | --time* | -t )
+ echo "$timestamp" ; exit 0 ;;
+ --version | -v )
+ echo "$version" ; exit 0 ;;
+ --help | --h* | -h )
+ echo "$usage"; exit 0 ;;
+ -- ) # Stop option processing
+ shift; break ;;
+ - ) # Use stdin as input.
+ break ;;
+ -* )
+ echo "$me: invalid option $1$help" >&2
+ exit 1 ;;
+ * )
+ break ;;
+ esac
+done
+
+if test $# != 0; then
+ echo "$me: too many arguments$help" >&2
+ exit 1
+fi
+
+
+dummy=dummy-$$
+trap 'rm -f $dummy.c $dummy.o $dummy; exit 1' 1 2 15
+
+# CC_FOR_BUILD -- compiler used by this script.
+# Historically, `CC_FOR_BUILD' used to be named `HOST_CC'. We still
+# use `HOST_CC' if defined, but it is deprecated.
+
+case $CC_FOR_BUILD,$HOST_CC,$CC in
+ ,,) echo "int dummy(){}" > $dummy.c
+ for c in cc gcc c89 ; do
+ ($c $dummy.c -c -o $dummy.o) >/dev/null 2>&1
+ if test $? = 0 ; then
+ CC_FOR_BUILD="$c"; break
+ fi
+ done
+ rm -f $dummy.c $dummy.o
+ if test x"$CC_FOR_BUILD" = x ; then
+ CC_FOR_BUILD=no_compiler_found
+ fi
+ ;;
+ ,,*) CC_FOR_BUILD=$CC ;;
+ ,*,*) CC_FOR_BUILD=$HOST_CC ;;
+esac
+
+# This is needed to find uname on a Pyramid OSx when run in the BSD universe.
+# (ghazi@noc.rutgers.edu 8/24/94.)
+if (test -f /.attbin/uname) >/dev/null 2>&1 ; then
+ PATH=$PATH:/.attbin ; export PATH
+fi
+
+UNAME_MACHINE=`(uname -m) 2>/dev/null` || UNAME_MACHINE=unknown
+UNAME_RELEASE=`(uname -r) 2>/dev/null` || UNAME_RELEASE=unknown
+UNAME_SYSTEM=`(uname -s) 2>/dev/null` || UNAME_SYSTEM=unknown
+UNAME_VERSION=`(uname -v) 2>/dev/null` || UNAME_VERSION=unknown
+
+# Note: order is significant - the case branches are not exclusive.
+
+case "${UNAME_MACHINE}:${UNAME_SYSTEM}:${UNAME_RELEASE}:${UNAME_VERSION}" in
+ *:NetBSD:*:*)
+ # Netbsd (nbsd) targets should (where applicable) match one or
+ # more of the tupples: *-*-netbsdelf*, *-*-netbsdaout*,
+ # *-*-netbsdecoff* and *-*-netbsd*. For targets that recently
+ # switched to ELF, *-*-netbsd* would select the old
+ # object file format. This provides both forward
+ # compatibility and a consistent mechanism for selecting the
+ # object file format.
+ # Determine the machine/vendor (is the vendor relevant).
+ case "${UNAME_MACHINE}" in
+ amiga) machine=m68k-unknown ;;
+ arm32) machine=arm-unknown ;;
+ atari*) machine=m68k-atari ;;
+ sun3*) machine=m68k-sun ;;
+ mac68k) machine=m68k-apple ;;
+ macppc) machine=powerpc-apple ;;
+ hp3[0-9][05]) machine=m68k-hp ;;
+ ibmrt|romp-ibm) machine=romp-ibm ;;
+ *) machine=${UNAME_MACHINE}-unknown ;;
+ esac
+ # The Operating System including object format, if it has switched
+ # to ELF recently, or will in the future.
+ case "${UNAME_MACHINE}" in
+ i386|sparc|amiga|arm*|hp300|mvme68k|vax|atari|luna68k|mac68k|news68k|next68k|pc532|sun3*|x68k)
+ if echo __ELF__ | $CC_FOR_BUILD -E - 2>/dev/null \
+ | grep __ELF__ >/dev/null
+ then
+ # Once all utilities can be ECOFF (netbsdecoff) or a.out (netbsdaout).
+ # Return netbsd for either. FIX?
+ os=netbsd
+ else
+ os=netbsdelf
+ fi
+ ;;
+ *)
+ os=netbsd
+ ;;
+ esac
+ # The OS release
+ release=`echo ${UNAME_RELEASE}|sed -e 's/[-_].*/\./'`
+ # Since CPU_TYPE-MANUFACTURER-KERNEL-OPERATING_SYSTEM:
+ # contains redundant information, the shorter form:
+ # CPU_TYPE-MANUFACTURER-OPERATING_SYSTEM is used.
+ echo "${machine}-${os}${release}"
+ exit 0 ;;
+ alpha:OSF1:*:*)
+ if test $UNAME_RELEASE = "V4.0"; then
+ UNAME_RELEASE=`/usr/sbin/sizer -v | awk '{print $3}'`
+ fi
+ # A Vn.n version is a released version.
+ # A Tn.n version is a released field test version.
+ # A Xn.n version is an unreleased experimental baselevel.
+ # 1.2 uses "1.2" for uname -r.
+ cat <<EOF >$dummy.s
+ .data
+\$Lformat:
+ .byte 37,100,45,37,120,10,0 # "%d-%x\n"
+
+ .text
+ .globl main
+ .align 4
+ .ent main
+main:
+ .frame \$30,16,\$26,0
+ ldgp \$29,0(\$27)
+ .prologue 1
+ .long 0x47e03d80 # implver \$0
+ lda \$2,-1
+ .long 0x47e20c21 # amask \$2,\$1
+ lda \$16,\$Lformat
+ mov \$0,\$17
+ not \$1,\$18
+ jsr \$26,printf
+ ldgp \$29,0(\$26)
+ mov 0,\$16
+ jsr \$26,exit
+ .end main
+EOF
+ $CC_FOR_BUILD $dummy.s -o $dummy 2>/dev/null
+ if test "$?" = 0 ; then
+ case `./$dummy` in
+ 0-0)
+ UNAME_MACHINE="alpha"
+ ;;
+ 1-0)
+ UNAME_MACHINE="alphaev5"
+ ;;
+ 1-1)
+ UNAME_MACHINE="alphaev56"
+ ;;
+ 1-101)
+ UNAME_MACHINE="alphapca56"
+ ;;
+ 2-303)
+ UNAME_MACHINE="alphaev6"
+ ;;
+ 2-307)
+ UNAME_MACHINE="alphaev67"
+ ;;
+ esac
+ fi
+ rm -f $dummy.s $dummy
+ echo ${UNAME_MACHINE}-dec-osf`echo ${UNAME_RELEASE} | sed -e 's/^[VTX]//' | tr 'ABCDEFGHIJKLMNOPQRSTUVWXYZ' 'abcdefghijklmnopqrstuvwxyz'`
+ exit 0 ;;
+ Alpha\ *:Windows_NT*:*)
+ # How do we know it's Interix rather than the generic POSIX subsystem?
+ # Should we change UNAME_MACHINE based on the output of uname instead
+ # of the specific Alpha model?
+ echo alpha-pc-interix
+ exit 0 ;;
+ 21064:Windows_NT:50:3)
+ echo alpha-dec-winnt3.5
+ exit 0 ;;
+ Amiga*:UNIX_System_V:4.0:*)
+ echo m68k-unknown-sysv4
+ exit 0;;
+ amiga:OpenBSD:*:*)
+ echo m68k-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ *:[Aa]miga[Oo][Ss]:*:*)
+ echo ${UNAME_MACHINE}-unknown-amigaos
+ exit 0 ;;
+ arc64:OpenBSD:*:*)
+ echo mips64el-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ arc:OpenBSD:*:*)
+ echo mipsel-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ hkmips:OpenBSD:*:*)
+ echo mips-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ pmax:OpenBSD:*:*)
+ echo mipsel-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ sgi:OpenBSD:*:*)
+ echo mips-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ wgrisc:OpenBSD:*:*)
+ echo mipsel-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ *:OS/390:*:*)
+ echo i370-ibm-openedition
+ exit 0 ;;
+ arm:RISC*:1.[012]*:*|arm:riscix:1.[012]*:*)
+ echo arm-acorn-riscix${UNAME_RELEASE}
+ exit 0;;
+ SR2?01:HI-UX/MPP:*:*)
+ echo hppa1.1-hitachi-hiuxmpp
+ exit 0;;
+ Pyramid*:OSx*:*:* | MIS*:OSx*:*:* | MIS*:SMP_DC-OSx*:*:*)
+ # akee@wpdis03.wpafb.af.mil (Earle F. Ake) contributed MIS and NILE.
+ if test "`(/bin/universe) 2>/dev/null`" = att ; then
+ echo pyramid-pyramid-sysv3
+ else
+ echo pyramid-pyramid-bsd
+ fi
+ exit 0 ;;
+ NILE*:*:*:dcosx)
+ echo pyramid-pyramid-svr4
+ exit 0 ;;
+ sun4H:SunOS:5.*:*)
+ echo sparc-hal-solaris2`echo ${UNAME_RELEASE}|sed -e 's/[^.]*//'`
+ exit 0 ;;
+ sun4*:SunOS:5.*:* | tadpole*:SunOS:5.*:*)
+ echo sparc-sun-solaris2`echo ${UNAME_RELEASE}|sed -e 's/[^.]*//'`
+ exit 0 ;;
+ i86pc:SunOS:5.*:*)
+ echo i386-pc-solaris2`echo ${UNAME_RELEASE}|sed -e 's/[^.]*//'`
+ exit 0 ;;
+ sun4*:SunOS:6*:*)
+ # According to config.sub, this is the proper way to canonicalize
+ # SunOS6. Hard to guess exactly what SunOS6 will be like, but
+ # it's likely to be more like Solaris than SunOS4.
+ echo sparc-sun-solaris3`echo ${UNAME_RELEASE}|sed -e 's/[^.]*//'`
+ exit 0 ;;
+ sun4*:SunOS:*:*)
+ case "`/usr/bin/arch -k`" in
+ Series*|S4*)
+ UNAME_RELEASE=`uname -v`
+ ;;
+ esac
+ # Japanese Language versions have a version number like `4.1.3-JL'.
+ echo sparc-sun-sunos`echo ${UNAME_RELEASE}|sed -e 's/-/_/'`
+ exit 0 ;;
+ sun3*:SunOS:*:*)
+ echo m68k-sun-sunos${UNAME_RELEASE}
+ exit 0 ;;
+ sun*:*:4.2BSD:*)
+ UNAME_RELEASE=`(head -1 /etc/motd | awk '{print substr($5,1,3)}') 2>/dev/null`
+ test "x${UNAME_RELEASE}" = "x" && UNAME_RELEASE=3
+ case "`/bin/arch`" in
+ sun3)
+ echo m68k-sun-sunos${UNAME_RELEASE}
+ ;;
+ sun4)
+ echo sparc-sun-sunos${UNAME_RELEASE}
+ ;;
+ esac
+ exit 0 ;;
+ aushp:SunOS:*:*)
+ echo sparc-auspex-sunos${UNAME_RELEASE}
+ exit 0 ;;
+ atari*:OpenBSD:*:*)
+ echo m68k-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ # The situation for MiNT is a little confusing. The machine name
+ # can be virtually everything (everything which is not
+ # "atarist" or "atariste" at least should have a processor
+ # > m68000). The system name ranges from "MiNT" over "FreeMiNT"
+ # to the lowercase version "mint" (or "freemint"). Finally
+ # the system name "TOS" denotes a system which is actually not
+ # MiNT. But MiNT is downward compatible to TOS, so this should
+ # be no problem.
+ atarist[e]:*MiNT:*:* | atarist[e]:*mint:*:* | atarist[e]:*TOS:*:*)
+ echo m68k-atari-mint${UNAME_RELEASE}
+ exit 0 ;;
+ atari*:*MiNT:*:* | atari*:*mint:*:* | atarist[e]:*TOS:*:*)
+ echo m68k-atari-mint${UNAME_RELEASE}
+ exit 0 ;;
+ *falcon*:*MiNT:*:* | *falcon*:*mint:*:* | *falcon*:*TOS:*:*)
+ echo m68k-atari-mint${UNAME_RELEASE}
+ exit 0 ;;
+ milan*:*MiNT:*:* | milan*:*mint:*:* | *milan*:*TOS:*:*)
+ echo m68k-milan-mint${UNAME_RELEASE}
+ exit 0 ;;
+ hades*:*MiNT:*:* | hades*:*mint:*:* | *hades*:*TOS:*:*)
+ echo m68k-hades-mint${UNAME_RELEASE}
+ exit 0 ;;
+ *:*MiNT:*:* | *:*mint:*:* | *:*TOS:*:*)
+ echo m68k-unknown-mint${UNAME_RELEASE}
+ exit 0 ;;
+ sun3*:OpenBSD:*:*)
+ echo m68k-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ mac68k:OpenBSD:*:*)
+ echo m68k-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ mvme68k:OpenBSD:*:*)
+ echo m68k-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ mvme88k:OpenBSD:*:*)
+ echo m88k-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ powerpc:machten:*:*)
+ echo powerpc-apple-machten${UNAME_RELEASE}
+ exit 0 ;;
+ RISC*:Mach:*:*)
+ echo mips-dec-mach_bsd4.3
+ exit 0 ;;
+ RISC*:ULTRIX:*:*)
+ echo mips-dec-ultrix${UNAME_RELEASE}
+ exit 0 ;;
+ VAX*:ULTRIX*:*:*)
+ echo vax-dec-ultrix${UNAME_RELEASE}
+ exit 0 ;;
+ 2020:CLIX:*:* | 2430:CLIX:*:*)
+ echo clipper-intergraph-clix${UNAME_RELEASE}
+ exit 0 ;;
+ mips:*:*:UMIPS | mips:*:*:RISCos)
+ sed 's/^ //' << EOF >$dummy.c
+#ifdef __cplusplus
+#include <stdio.h> /* for printf() prototype */
+ int main (int argc, char *argv[]) {
+#else
+ int main (argc, argv) int argc; char *argv[]; {
+#endif
+ #if defined (host_mips) && defined (MIPSEB)
+ #if defined (SYSTYPE_SYSV)
+ printf ("mips-mips-riscos%ssysv\n", argv[1]); exit (0);
+ #endif
+ #if defined (SYSTYPE_SVR4)
+ printf ("mips-mips-riscos%ssvr4\n", argv[1]); exit (0);
+ #endif
+ #if defined (SYSTYPE_BSD43) || defined(SYSTYPE_BSD)
+ printf ("mips-mips-riscos%sbsd\n", argv[1]); exit (0);
+ #endif
+ #endif
+ exit (-1);
+ }
+EOF
+ $CC_FOR_BUILD $dummy.c -o $dummy \
+ && ./$dummy `echo "${UNAME_RELEASE}" | sed -n 's/\([0-9]*\).*/\1/p'` \
+ && rm $dummy.c $dummy && exit 0
+ rm -f $dummy.c $dummy
+ echo mips-mips-riscos${UNAME_RELEASE}
+ exit 0 ;;
+ Night_Hawk:Power_UNIX:*:*)
+ echo powerpc-harris-powerunix
+ exit 0 ;;
+ m88k:CX/UX:7*:*)
+ echo m88k-harris-cxux7
+ exit 0 ;;
+ m88k:*:4*:R4*)
+ echo m88k-motorola-sysv4
+ exit 0 ;;
+ m88k:*:3*:R3*)
+ echo m88k-motorola-sysv3
+ exit 0 ;;
+ AViiON:dgux:*:*)
+ # DG/UX returns AViiON for all architectures
+ UNAME_PROCESSOR=`/usr/bin/uname -p`
+ if [ $UNAME_PROCESSOR = mc88100 ] || [ $UNAME_PROCESSOR = mc88110 ]
+ then
+ if [ ${TARGET_BINARY_INTERFACE}x = m88kdguxelfx ] || \
+ [ ${TARGET_BINARY_INTERFACE}x = x ]
+ then
+ echo m88k-dg-dgux${UNAME_RELEASE}
+ else
+ echo m88k-dg-dguxbcs${UNAME_RELEASE}
+ fi
+ else
+ echo i586-dg-dgux${UNAME_RELEASE}
+ fi
+ exit 0 ;;
+ M88*:DolphinOS:*:*) # DolphinOS (SVR3)
+ echo m88k-dolphin-sysv3
+ exit 0 ;;
+ M88*:*:R3*:*)
+ # Delta 88k system running SVR3
+ echo m88k-motorola-sysv3
+ exit 0 ;;
+ XD88*:*:*:*) # Tektronix XD88 system running UTekV (SVR3)
+ echo m88k-tektronix-sysv3
+ exit 0 ;;
+ Tek43[0-9][0-9]:UTek:*:*) # Tektronix 4300 system running UTek (BSD)
+ echo m68k-tektronix-bsd
+ exit 0 ;;
+ *:IRIX*:*:*)
+ echo mips-sgi-irix`echo ${UNAME_RELEASE}|sed -e 's/-/_/g'`
+ exit 0 ;;
+ ????????:AIX?:[12].1:2) # AIX 2.2.1 or AIX 2.1.1 is RT/PC AIX.
+ echo romp-ibm-aix # uname -m gives an 8 hex-code CPU id
+ exit 0 ;; # Note that: echo "'`uname -s`'" gives 'AIX '
+ i?86:AIX:*:*)
+ echo i386-ibm-aix
+ exit 0 ;;
+ *:AIX:2:3)
+ if grep bos325 /usr/include/stdio.h >/dev/null 2>&1; then
+ sed 's/^ //' << EOF >$dummy.c
+ #include <sys/systemcfg.h>
+
+ main()
+ {
+ if (!__power_pc())
+ exit(1);
+ puts("powerpc-ibm-aix3.2.5");
+ exit(0);
+ }
+EOF
+ $CC_FOR_BUILD $dummy.c -o $dummy && ./$dummy && rm $dummy.c $dummy && exit 0
+ rm -f $dummy.c $dummy
+ echo rs6000-ibm-aix3.2.5
+ elif grep bos324 /usr/include/stdio.h >/dev/null 2>&1; then
+ echo rs6000-ibm-aix3.2.4
+ else
+ echo rs6000-ibm-aix3.2
+ fi
+ exit 0 ;;
+ *:AIX:*:4)
+ IBM_CPU_ID=`/usr/sbin/lsdev -C -c processor -S available | head -1 | awk '{ print $1 }'`
+ if /usr/sbin/lsattr -EHl ${IBM_CPU_ID} | grep POWER >/dev/null 2>&1; then
+ IBM_ARCH=rs6000
+ else
+ IBM_ARCH=powerpc
+ fi
+ if [ -x /usr/bin/oslevel ] ; then
+ IBM_REV=`/usr/bin/oslevel`
+ else
+ IBM_REV=4.${UNAME_RELEASE}
+ fi
+ echo ${IBM_ARCH}-ibm-aix${IBM_REV}
+ exit 0 ;;
+ *:AIX:*:5)
+ case "`lsattr -El proc0 -a type -F value`" in
+ PowerPC*) IBM_ARCH=powerpc
+ IBM_MANUF=ibm ;;
+ Itanium) IBM_ARCH=ia64
+ IBM_MANUF=unknown ;;
+ POWER*) IBM_ARCH=power
+ IBM_MANUF=ibm ;;
+ *) IBM_ARCH=powerpc
+ IBM_MANUF=ibm ;;
+ esac
+ echo ${IBM_ARCH}-${IBM_MANUF}-aix${UNAME_VERSION}.${UNAME_RELEASE}
+ exit 0 ;;
+ *:AIX:*:*)
+ echo rs6000-ibm-aix
+ exit 0 ;;
+ ibmrt:4.4BSD:*|romp-ibm:BSD:*)
+ echo romp-ibm-bsd4.4
+ exit 0 ;;
+ ibmrt:*BSD:*|romp-ibm:BSD:*) # covers RT/PC BSD and
+ echo romp-ibm-bsd${UNAME_RELEASE} # 4.3 with uname added to
+ exit 0 ;; # report: romp-ibm BSD 4.3
+ *:BOSX:*:*)
+ echo rs6000-bull-bosx
+ exit 0 ;;
+ DPX/2?00:B.O.S.:*:*)
+ echo m68k-bull-sysv3
+ exit 0 ;;
+ 9000/[34]??:4.3bsd:1.*:*)
+ echo m68k-hp-bsd
+ exit 0 ;;
+ hp300:4.4BSD:*:* | 9000/[34]??:4.3bsd:2.*:*)
+ echo m68k-hp-bsd4.4
+ exit 0 ;;
+ 9000/[34678]??:HP-UX:*:*)
+ HPUX_REV=`echo ${UNAME_RELEASE}|sed -e 's/[^.]*.[0B]*//'`
+ case "${UNAME_MACHINE}" in
+ 9000/31? ) HP_ARCH=m68000 ;;
+ 9000/[34]?? ) HP_ARCH=m68k ;;
+ 9000/[678][0-9][0-9])
+ case "${HPUX_REV}" in
+ 11.[0-9][0-9])
+ if [ -x /usr/bin/getconf ]; then
+ sc_cpu_version=`/usr/bin/getconf SC_CPU_VERSION 2>/dev/null`
+ sc_kernel_bits=`/usr/bin/getconf SC_KERNEL_BITS 2>/dev/null`
+ case "${sc_cpu_version}" in
+ 523) HP_ARCH="hppa1.0" ;; # CPU_PA_RISC1_0
+ 528) HP_ARCH="hppa1.1" ;; # CPU_PA_RISC1_1
+ 532) # CPU_PA_RISC2_0
+ case "${sc_kernel_bits}" in
+ 32) HP_ARCH="hppa2.0n" ;;
+ 64) HP_ARCH="hppa2.0w" ;;
+ esac ;;
+ esac
+ fi ;;
+ esac
+ if [ "${HP_ARCH}" = "" ]; then
+ sed 's/^ //' << EOF >$dummy.c
+
+ #define _HPUX_SOURCE
+ #include <stdlib.h>
+ #include <unistd.h>
+
+ int main ()
+ {
+ #if defined(_SC_KERNEL_BITS)
+ long bits = sysconf(_SC_KERNEL_BITS);
+ #endif
+ long cpu = sysconf (_SC_CPU_VERSION);
+
+ switch (cpu)
+ {
+ case CPU_PA_RISC1_0: puts ("hppa1.0"); break;
+ case CPU_PA_RISC1_1: puts ("hppa1.1"); break;
+ case CPU_PA_RISC2_0:
+ #if defined(_SC_KERNEL_BITS)
+ switch (bits)
+ {
+ case 64: puts ("hppa2.0w"); break;
+ case 32: puts ("hppa2.0n"); break;
+ default: puts ("hppa2.0"); break;
+ } break;
+ #else /* !defined(_SC_KERNEL_BITS) */
+ puts ("hppa2.0"); break;
+ #endif
+ default: puts ("hppa1.0"); break;
+ }
+ exit (0);
+ }
+EOF
+ (CCOPTS= $CC_FOR_BUILD $dummy.c -o $dummy 2>/dev/null ) && HP_ARCH=`./$dummy`
+ if test -z "$HP_ARCH"; then HP_ARCH=hppa; fi
+ rm -f $dummy.c $dummy
+ fi ;;
+ esac
+ echo ${HP_ARCH}-hp-hpux${HPUX_REV}
+ exit 0 ;;
+ ia64:HP-UX:*:*)
+ HPUX_REV=`echo ${UNAME_RELEASE}|sed -e 's/[^.]*.[0B]*//'`
+ echo ia64-hp-hpux${HPUX_REV}
+ exit 0 ;;
+ 3050*:HI-UX:*:*)
+ sed 's/^ //' << EOF >$dummy.c
+ #include <unistd.h>
+ int
+ main ()
+ {
+ long cpu = sysconf (_SC_CPU_VERSION);
+ /* The order matters, because CPU_IS_HP_MC68K erroneously returns
+ true for CPU_PA_RISC1_0. CPU_IS_PA_RISC returns correct
+ results, however. */
+ if (CPU_IS_PA_RISC (cpu))
+ {
+ switch (cpu)
+ {
+ case CPU_PA_RISC1_0: puts ("hppa1.0-hitachi-hiuxwe2"); break;
+ case CPU_PA_RISC1_1: puts ("hppa1.1-hitachi-hiuxwe2"); break;
+ case CPU_PA_RISC2_0: puts ("hppa2.0-hitachi-hiuxwe2"); break;
+ default: puts ("hppa-hitachi-hiuxwe2"); break;
+ }
+ }
+ else if (CPU_IS_HP_MC68K (cpu))
+ puts ("m68k-hitachi-hiuxwe2");
+ else puts ("unknown-hitachi-hiuxwe2");
+ exit (0);
+ }
+EOF
+ $CC_FOR_BUILD $dummy.c -o $dummy && ./$dummy && rm $dummy.c $dummy && exit 0
+ rm -f $dummy.c $dummy
+ echo unknown-hitachi-hiuxwe2
+ exit 0 ;;
+ 9000/7??:4.3bsd:*:* | 9000/8?[79]:4.3bsd:*:* )
+ echo hppa1.1-hp-bsd
+ exit 0 ;;
+ 9000/8??:4.3bsd:*:*)
+ echo hppa1.0-hp-bsd
+ exit 0 ;;
+ *9??*:MPE/iX:*:*)
+ echo hppa1.0-hp-mpeix
+ exit 0 ;;
+ hp7??:OSF1:*:* | hp8?[79]:OSF1:*:* )
+ echo hppa1.1-hp-osf
+ exit 0 ;;
+ hp8??:OSF1:*:*)
+ echo hppa1.0-hp-osf
+ exit 0 ;;
+ i?86:OSF1:*:*)
+ if [ -x /usr/sbin/sysversion ] ; then
+ echo ${UNAME_MACHINE}-unknown-osf1mk
+ else
+ echo ${UNAME_MACHINE}-unknown-osf1
+ fi
+ exit 0 ;;
+ parisc*:Lites*:*:*)
+ echo hppa1.1-hp-lites
+ exit 0 ;;
+ hppa*:OpenBSD:*:*)
+ echo hppa-unknown-openbsd
+ exit 0 ;;
+ C1*:ConvexOS:*:* | convex:ConvexOS:C1*:*)
+ echo c1-convex-bsd
+ exit 0 ;;
+ C2*:ConvexOS:*:* | convex:ConvexOS:C2*:*)
+ if getsysinfo -f scalar_acc
+ then echo c32-convex-bsd
+ else echo c2-convex-bsd
+ fi
+ exit 0 ;;
+ C34*:ConvexOS:*:* | convex:ConvexOS:C34*:*)
+ echo c34-convex-bsd
+ exit 0 ;;
+ C38*:ConvexOS:*:* | convex:ConvexOS:C38*:*)
+ echo c38-convex-bsd
+ exit 0 ;;
+ C4*:ConvexOS:*:* | convex:ConvexOS:C4*:*)
+ echo c4-convex-bsd
+ exit 0 ;;
+ CRAY*X-MP:*:*:*)
+ echo xmp-cray-unicos
+ exit 0 ;;
+ CRAY*Y-MP:*:*:*)
+ echo ymp-cray-unicos${UNAME_RELEASE}
+ exit 0 ;;
+ CRAY*[A-Z]90:*:*:*)
+ echo ${UNAME_MACHINE}-cray-unicos${UNAME_RELEASE} \
+ | sed -e 's/CRAY.*\([A-Z]90\)/\1/' \
+ -e y/ABCDEFGHIJKLMNOPQRSTUVWXYZ/abcdefghijklmnopqrstuvwxyz/
+ exit 0 ;;
+ CRAY*TS:*:*:*)
+ echo t90-cray-unicos${UNAME_RELEASE} | sed -e 's/\.[^.]*$/.X/'
+ exit 0 ;;
+ CRAY*T3D:*:*:*)
+ echo alpha-cray-unicosmk${UNAME_RELEASE} | sed -e 's/\.[^.]*$/.X/'
+ exit 0 ;;
+ CRAY*T3E:*:*:*)
+ echo alphaev5-cray-unicosmk${UNAME_RELEASE} | sed -e 's/\.[^.]*$/.X/'
+ exit 0 ;;
+ CRAY*SV1:*:*:*)
+ echo sv1-cray-unicos${UNAME_RELEASE} | sed -e 's/\.[^.]*$/.X/'
+ exit 0 ;;
+ CRAY-2:*:*:*)
+ echo cray2-cray-unicos
+ exit 0 ;;
+ F30[01]:UNIX_System_V:*:* | F700:UNIX_System_V:*:*)
+ FUJITSU_PROC=`uname -m | tr 'ABCDEFGHIJKLMNOPQRSTUVWXYZ' 'abcdefghijklmnopqrstuvwxyz'`
+ FUJITSU_SYS=`uname -p | tr 'ABCDEFGHIJKLMNOPQRSTUVWXYZ' 'abcdefghijklmnopqrstuvwxyz' | sed -e 's/\///'`
+ FUJITSU_REL=`echo ${UNAME_RELEASE} | sed -e 's/ /_/'`
+ echo "${FUJITSU_PROC}-fujitsu-${FUJITSU_SYS}${FUJITSU_REL}"
+ exit 0 ;;
+ hp300:OpenBSD:*:*)
+ echo m68k-unknown-openbsd${UNAME_RELEASE}
+ exit 0 ;;
+ i?86:BSD/386:*:* | i?86:BSD/OS:*:* | *:Ascend\ Embedded/OS:*:*)
+ echo ${UNAME_MACHINE}-pc-bsdi${UNAME_RELEASE}
+ exit 0 ;;
+ sparc*:BSD/OS:*:*)
+ echo sparc-unknown-bsdi${UNAME_RELEASE}
+ exit 0 ;;
+ *:BSD/OS:*:*)
+ echo ${UNAME_MACHINE}-unknown-bsdi${UNAME_RELEASE}
+ exit 0 ;;
+ *:FreeBSD:*:*)
+ echo ${UNAME_MACHINE}-unknown-freebsd`echo ${UNAME_RELEASE}|sed -e 's/[-(].*//'`
+ exit 0 ;;
+ *:OpenBSD:*:*)
+ echo ${UNAME_MACHINE}-unknown-openbsd`echo ${UNAME_RELEASE}|sed -e 's/[-_].*/\./'`
+ exit 0 ;;
+ i*:CYGWIN*:*)
+ echo ${UNAME_MACHINE}-pc-cygwin
+ exit 0 ;;
+ i*:MINGW*:*)
+ echo ${UNAME_MACHINE}-pc-mingw32
+ exit 0 ;;
+ i*:PW*:*)
+ echo ${UNAME_MACHINE}-pc-pw32
+ exit 0 ;;
+ i*:Windows_NT*:* | Pentium*:Windows_NT*:*)
+ # How do we know it's Interix rather than the generic POSIX subsystem?
+ # It also conflicts with pre-2.0 versions of AT&T UWIN. Should we
+ # UNAME_MACHINE based on the output of uname instead of i386?
+ echo i386-pc-interix
+ exit 0 ;;
+ i*:UWIN*:*)
+ echo ${UNAME_MACHINE}-pc-uwin
+ exit 0 ;;
+ p*:CYGWIN*:*)
+ echo powerpcle-unknown-cygwin
+ exit 0 ;;
+ prep*:SunOS:5.*:*)
+ echo powerpcle-unknown-solaris2`echo ${UNAME_RELEASE}|sed -e 's/[^.]*//'`
+ exit 0 ;;
+ *:GNU:*:*)
+ echo `echo ${UNAME_MACHINE}|sed -e 's,[-/].*$,,'`-unknown-gnu`echo ${UNAME_RELEASE}|sed -e 's,/.*$,,'`
+ exit 0 ;;
+ i*86:Minix:*:*)
+ echo ${UNAME_MACHINE}-pc-minix
+ exit 0 ;;
+ *:Linux:*:*)
+
+ # The BFD linker knows what the default object file format is, so
+ # first see if it will tell us. cd to the root directory to prevent
+ # problems with other programs or directories called `ld' in the path.
+ ld_supported_emulations=`cd /; ld --help 2>&1 \
+ | sed -ne '/supported emulations:/!d
+ s/[ ][ ]*/ /g
+ s/.*supported emulations: *//
+ s/ .*//
+ p'`
+ case "$ld_supported_emulations" in
+ *ia64)
+ echo "${UNAME_MACHINE}-unknown-linux"
+ exit 0
+ ;;
+ i?86linux)
+ echo "${UNAME_MACHINE}-pc-linux-gnuaout"
+ exit 0
+ ;;
+ elf_i?86)
+ TENTATIVE="${UNAME_MACHINE}-pc-linux-gnu"
+ ;;
+ i?86coff)
+ echo "${UNAME_MACHINE}-pc-linux-gnucoff"
+ exit 0
+ ;;
+ sparclinux)
+ echo "${UNAME_MACHINE}-unknown-linux-gnuaout"
+ exit 0
+ ;;
+ elf32_sparc)
+ echo "${UNAME_MACHINE}-unknown-linux-gnu"
+ exit 0
+ ;;
+ armlinux)
+ echo "${UNAME_MACHINE}-unknown-linux-gnuaout"
+ exit 0
+ ;;
+ elf32arm*)
+ echo "${UNAME_MACHINE}-unknown-linux-gnuoldld"
+ exit 0
+ ;;
+ armelf_linux*)
+ echo "${UNAME_MACHINE}-unknown-linux-gnu"
+ exit 0
+ ;;
+ m68klinux)
+ echo "${UNAME_MACHINE}-unknown-linux-gnuaout"
+ exit 0
+ ;;
+ elf32ppc | elf32ppclinux)
+ # Determine Lib Version
+ cat >$dummy.c <<EOF
+#include <features.h>
+#if defined(__GLIBC__)
+extern char __libc_version[];
+extern char __libc_release[];
+#endif
+main(argc, argv)
+ int argc;
+ char *argv[];
+{
+#if defined(__GLIBC__)
+ printf("%s %s\n", __libc_version, __libc_release);
+#else
+ printf("unkown\n");
+#endif
+ return 0;
+}
+EOF
+ LIBC=""
+ $CC_FOR_BUILD $dummy.c -o $dummy 2>/dev/null
+ if test "$?" = 0 ; then
+ ./$dummy | grep 1\.99 > /dev/null
+ if test "$?" = 0 ; then
+ LIBC="libc1"
+ fi
+ fi
+ rm -f $dummy.c $dummy
+ echo powerpc-unknown-linux-gnu${LIBC}
+ exit 0
+ ;;
+ shelf_linux)
+ echo "${UNAME_MACHINE}-unknown-linux-gnu"
+ exit 0
+ ;;
+ esac
+
+ if test "${UNAME_MACHINE}" = "alpha" ; then
+ cat <<EOF >$dummy.s
+ .data
+ \$Lformat:
+ .byte 37,100,45,37,120,10,0 # "%d-%x\n"
+
+ .text
+ .globl main
+ .align 4
+ .ent main
+ main:
+ .frame \$30,16,\$26,0
+ ldgp \$29,0(\$27)
+ .prologue 1
+ .long 0x47e03d80 # implver \$0
+ lda \$2,-1
+ .long 0x47e20c21 # amask \$2,\$1
+ lda \$16,\$Lformat
+ mov \$0,\$17
+ not \$1,\$18
+ jsr \$26,printf
+ ldgp \$29,0(\$26)
+ mov 0,\$16
+ jsr \$26,exit
+ .end main
+EOF
+ LIBC=""
+ $CC_FOR_BUILD $dummy.s -o $dummy 2>/dev/null
+ if test "$?" = 0 ; then
+ case `./$dummy` in
+ 0-0)
+ UNAME_MACHINE="alpha"
+ ;;
+ 1-0)
+ UNAME_MACHINE="alphaev5"
+ ;;
+ 1-1)
+ UNAME_MACHINE="alphaev56"
+ ;;
+ 1-101)
+ UNAME_MACHINE="alphapca56"
+ ;;
+ 2-303)
+ UNAME_MACHINE="alphaev6"
+ ;;
+ 2-307)
+ UNAME_MACHINE="alphaev67"
+ ;;
+ esac
+
+ objdump --private-headers $dummy | \
+ grep ld.so.1 > /dev/null
+ if test "$?" = 0 ; then
+ LIBC="libc1"
+ fi
+ fi
+ rm -f $dummy.s $dummy
+ echo ${UNAME_MACHINE}-unknown-linux-gnu${LIBC} ; exit 0
+ elif test "${UNAME_MACHINE}" = "mips" ; then
+ cat >$dummy.c <<EOF
+#ifdef __cplusplus
+#include <stdio.h> /* for printf() prototype */
+ int main (int argc, char *argv[]) {
+#else
+ int main (argc, argv) int argc; char *argv[]; {
+#endif
+#ifdef __MIPSEB__
+ printf ("%s-unknown-linux-gnu\n", argv[1]);
+#endif
+#ifdef __MIPSEL__
+ printf ("%sel-unknown-linux-gnu\n", argv[1]);
+#endif
+ return 0;
+}
+EOF
+ $CC_FOR_BUILD $dummy.c -o $dummy 2>/dev/null && ./$dummy "${UNAME_MACHINE}" && rm $dummy.c $dummy && exit 0
+ rm -f $dummy.c $dummy
+ elif test "${UNAME_MACHINE}" = "s390"; then
+ echo s390-ibm-linux && exit 0
+ elif test "${UNAME_MACHINE}" = "x86_64"; then
+ echo x86_64-unknown-linux-gnu && exit 0
+ elif test "${UNAME_MACHINE}" = "parisc" -o "${UNAME_MACHINE}" = "hppa"; then
+ # Look for CPU level
+ case `grep '^cpu[^a-z]*:' /proc/cpuinfo 2>/dev/null | cut -d' ' -f2` in
+ PA7*)
+ echo hppa1.1-unknown-linux-gnu
+ ;;
+ PA8*)
+ echo hppa2.0-unknown-linux-gnu
+ ;;
+ *)
+ echo hppa-unknown-linux-gnu
+ ;;
+ esac
+ exit 0
+ else
+ # Either a pre-BFD a.out linker (linux-gnuoldld)
+ # or one that does not give us useful --help.
+ # GCC wants to distinguish between linux-gnuoldld and linux-gnuaout.
+ # If ld does not provide *any* "supported emulations:"
+ # that means it is gnuoldld.
+ test -z "$ld_supported_emulations" \
+ && echo "${UNAME_MACHINE}-pc-linux-gnuoldld" && exit 0
+
+ case "${UNAME_MACHINE}" in
+ i?86)
+ VENDOR=pc;
+ ;;
+ *)
+ VENDOR=unknown;
+ ;;
+ esac
+ # Determine whether the default compiler is a.out or elf
+ cat >$dummy.c <<EOF
+#include <features.h>
+#ifdef __cplusplus
+#include <stdio.h> /* for printf() prototype */
+ int main (int argc, char *argv[]) {
+#else
+ int main (argc, argv) int argc; char *argv[]; {
+#endif
+#ifdef __ELF__
+# ifdef __GLIBC__
+# if __GLIBC__ >= 2
+ printf ("%s-${VENDOR}-linux-gnu\n", argv[1]);
+# else
+ printf ("%s-${VENDOR}-linux-gnulibc1\n", argv[1]);
+# endif
+# else
+ printf ("%s-${VENDOR}-linux-gnulibc1\n", argv[1]);
+# endif
+#else
+ printf ("%s-${VENDOR}-linux-gnuaout\n", argv[1]);
+#endif
+ return 0;
+}
+EOF
+ $CC_FOR_BUILD $dummy.c -o $dummy 2>/dev/null && ./$dummy "${UNAME_MACHINE}" && rm $dummy.c $dummy && exit 0
+ rm -f $dummy.c $dummy
+ test x"${TENTATIVE}" != x && echo "${TENTATIVE}" && exit 0
+ fi ;;
+# ptx 4.0 does uname -s correctly, with DYNIX/ptx in there. earlier versions
+# are messed up and put the nodename in both sysname and nodename.
+ i?86:DYNIX/ptx:4*:*)
+ echo i386-sequent-sysv4
+ exit 0 ;;
+ i?86:UNIX_SV:4.2MP:2.*)
+ # Unixware is an offshoot of SVR4, but it has its own version
+ # number series starting with 2...
+ # I am not positive that other SVR4 systems won't match this,
+ # I just have to hope. -- rms.
+ # Use sysv4.2uw... so that sysv4* matches it.
+ echo ${UNAME_MACHINE}-pc-sysv4.2uw${UNAME_VERSION}
+ exit 0 ;;
+ i?86:*:4.*:* | i?86:SYSTEM_V:4.*:*)
+ UNAME_REL=`echo ${UNAME_RELEASE} | sed 's/\/MP$//'`
+ if grep Novell /usr/include/link.h >/dev/null 2>/dev/null; then
+ echo ${UNAME_MACHINE}-univel-sysv${UNAME_REL}
+ else
+ echo ${UNAME_MACHINE}-pc-sysv${UNAME_REL}
+ fi
+ exit 0 ;;
+ i?86:*:5:7*)
+ # Fixed at (any) Pentium or better
+ UNAME_MACHINE=i586
+ if [ ${UNAME_SYSTEM} = "UnixWare" ] ; then
+ echo ${UNAME_MACHINE}-sco-sysv${UNAME_RELEASE}uw${UNAME_VERSION}
+ else
+ echo ${UNAME_MACHINE}-pc-sysv${UNAME_RELEASE}
+ fi
+ exit 0 ;;
+ i?86:*:3.2:*)
+ if test -f /usr/options/cb.name; then
+ UNAME_REL=`sed -n 's/.*Version //p' </usr/options/cb.name`
+ echo ${UNAME_MACHINE}-pc-isc$UNAME_REL
+ elif /bin/uname -X 2>/dev/null >/dev/null ; then
+ UNAME_REL=`(/bin/uname -X|egrep Release|sed -e 's/.*= //')`
+ (/bin/uname -X|egrep i80486 >/dev/null) && UNAME_MACHINE=i486
+ (/bin/uname -X|egrep '^Machine.*Pentium' >/dev/null) \
+ && UNAME_MACHINE=i586
+ (/bin/uname -X|egrep '^Machine.*Pent ?II' >/dev/null) \
+ && UNAME_MACHINE=i686
+ (/bin/uname -X|egrep '^Machine.*Pentium Pro' >/dev/null) \
+ && UNAME_MACHINE=i686
+ echo ${UNAME_MACHINE}-pc-sco$UNAME_REL
+ else
+ echo ${UNAME_MACHINE}-pc-sysv32
+ fi
+ exit 0 ;;
+ i?86:*DOS:*:*)
+ echo ${UNAME_MACHINE}-pc-msdosdjgpp
+ exit 0 ;;
+ pc:*:*:*)
+ # Left here for compatibility:
+ # uname -m prints for DJGPP always 'pc', but it prints nothing about
+ # the processor, so we play safe by assuming i386.
+ echo i386-pc-msdosdjgpp
+ exit 0 ;;
+ Intel:Mach:3*:*)
+ echo i386-pc-mach3
+ exit 0 ;;
+ paragon:*:*:*)
+ echo i860-intel-osf1
+ exit 0 ;;
+ i860:*:4.*:*) # i860-SVR4
+ if grep Stardent /usr/include/sys/uadmin.h >/dev/null 2>&1 ; then
+ echo i860-stardent-sysv${UNAME_RELEASE} # Stardent Vistra i860-SVR4
+ else # Add other i860-SVR4 vendors below as they are discovered.
+ echo i860-unknown-sysv${UNAME_RELEASE} # Unknown i860-SVR4
+ fi
+ exit 0 ;;
+ mini*:CTIX:SYS*5:*)
+ # "miniframe"
+ echo m68010-convergent-sysv
+ exit 0 ;;
+ M68*:*:R3V[567]*:*)
+ test -r /sysV68 && echo 'm68k-motorola-sysv' && exit 0 ;;
+ 3[34]??:*:4.0:3.0 | 3[34]??A:*:4.0:3.0 | 3[34]??,*:*:4.0:3.0 | 4850:*:4.0:3.0)
+ OS_REL=''
+ test -r /etc/.relid \
+ && OS_REL=.`sed -n 's/[^ ]* [^ ]* \([0-9][0-9]\).*/\1/p' < /etc/.relid`
+ /bin/uname -p 2>/dev/null | grep 86 >/dev/null \
+ && echo i486-ncr-sysv4.3${OS_REL} && exit 0
+ /bin/uname -p 2>/dev/null | /bin/grep entium >/dev/null \
+ && echo i586-ncr-sysv4.3${OS_REL} && exit 0 ;;
+ 3[34]??:*:4.0:* | 3[34]??,*:*:4.0:*)
+ /bin/uname -p 2>/dev/null | grep 86 >/dev/null \
+ && echo i486-ncr-sysv4 && exit 0 ;;
+ m68*:LynxOS:2.*:*)
+ echo m68k-unknown-lynxos${UNAME_RELEASE}
+ exit 0 ;;
+ mc68030:UNIX_System_V:4.*:*)
+ echo m68k-atari-sysv4
+ exit 0 ;;
+ i?86:LynxOS:2.*:* | i?86:LynxOS:3.[01]*:*)
+ echo i386-unknown-lynxos${UNAME_RELEASE}
+ exit 0 ;;
+ TSUNAMI:LynxOS:2.*:*)
+ echo sparc-unknown-lynxos${UNAME_RELEASE}
+ exit 0 ;;
+ rs6000:LynxOS:2.*:* | PowerPC:LynxOS:2.*:*)
+ echo rs6000-unknown-lynxos${UNAME_RELEASE}
+ exit 0 ;;
+ SM[BE]S:UNIX_SV:*:*)
+ echo mips-dde-sysv${UNAME_RELEASE}
+ exit 0 ;;
+ RM*:ReliantUNIX-*:*:*)
+ echo mips-sni-sysv4
+ exit 0 ;;
+ RM*:SINIX-*:*:*)
+ echo mips-sni-sysv4
+ exit 0 ;;
+ *:SINIX-*:*:*)
+ if uname -p 2>/dev/null >/dev/null ; then
+ UNAME_MACHINE=`(uname -p) 2>/dev/null`
+ echo ${UNAME_MACHINE}-sni-sysv4
+ else
+ echo ns32k-sni-sysv
+ fi
+ exit 0 ;;
+ PENTIUM:CPunix:4.0*:*) # Unisys `ClearPath HMP IX 4000' SVR4/MP effort
+ # says <Richard.M.Bartel@ccMail.Census.GOV>
+ echo i586-unisys-sysv4
+ exit 0 ;;
+ *:UNIX_System_V:4*:FTX*)
+ # From Gerald Hewes <hewes@openmarket.com>.
+ # How about differentiating between stratus architectures? -djm
+ echo hppa1.1-stratus-sysv4
+ exit 0 ;;
+ *:*:*:FTX*)
+ # From seanf@swdc.stratus.com.
+ echo i860-stratus-sysv4
+ exit 0 ;;
+ mc68*:A/UX:*:*)
+ echo m68k-apple-aux${UNAME_RELEASE}
+ exit 0 ;;
+ news*:NEWS-OS:6*:*)
+ echo mips-sony-newsos6
+ exit 0 ;;
+ R[34]000:*System_V*:*:* | R4000:UNIX_SYSV:*:* | R*000:UNIX_SV:*:*)
+ if [ -d /usr/nec ]; then
+ echo mips-nec-sysv${UNAME_RELEASE}
+ else
+ echo mips-unknown-sysv${UNAME_RELEASE}
+ fi
+ exit 0 ;;
+ BeBox:BeOS:*:*) # BeOS running on hardware made by Be, PPC only.
+ echo powerpc-be-beos
+ exit 0 ;;
+ BeMac:BeOS:*:*) # BeOS running on Mac or Mac clone, PPC only.
+ echo powerpc-apple-beos
+ exit 0 ;;
+ BePC:BeOS:*:*) # BeOS running on Intel PC compatible.
+ echo i586-pc-beos
+ exit 0 ;;
+ SX-4:SUPER-UX:*:*)
+ echo sx4-nec-superux${UNAME_RELEASE}
+ exit 0 ;;
+ SX-5:SUPER-UX:*:*)
+ echo sx5-nec-superux${UNAME_RELEASE}
+ exit 0 ;;
+ Power*:Rhapsody:*:*)
+ echo powerpc-apple-rhapsody${UNAME_RELEASE}
+ exit 0 ;;
+ *:Rhapsody:*:*)
+ echo ${UNAME_MACHINE}-apple-rhapsody${UNAME_RELEASE}
+ exit 0 ;;
+ *:Darwin:*:*)
+ echo `uname -p`-apple-darwin${UNAME_RELEASE}
+ exit 0 ;;
+ *:procnto*:*:* | *:QNX:[0123456789]*:*)
+ if test "${UNAME_MACHINE}" = "x86pc"; then
+ UNAME_MACHINE=pc
+ fi
+ echo `uname -p`-${UNAME_MACHINE}-nto-qnx
+ exit 0 ;;
+ *:QNX:*:4*)
+ echo i386-pc-qnx
+ exit 0 ;;
+ NSR-[KW]:NONSTOP_KERNEL:*:*)
+ echo nsr-tandem-nsk${UNAME_RELEASE}
+ exit 0 ;;
+ *:NonStop-UX:*:*)
+ echo mips-compaq-nonstopux
+ exit 0 ;;
+ BS2000:POSIX*:*:*)
+ echo bs2000-siemens-sysv
+ exit 0 ;;
+ DS/*:UNIX_System_V:*:*)
+ echo ${UNAME_MACHINE}-${UNAME_SYSTEM}-${UNAME_RELEASE}
+ exit 0 ;;
+ *:Plan9:*:*)
+ # "uname -m" is not consistent, so use $cputype instead. 386
+ # is converted to i386 for consistency with other x86
+ # operating systems.
+ if test "$cputype" = "386"; then
+ UNAME_MACHINE=i386
+ else
+ UNAME_MACHINE="$cputype"
+ fi
+ echo ${UNAME_MACHINE}-unknown-plan9
+ exit 0 ;;
+ i?86:OS/2:*:*)
+ # If we were able to find `uname', then EMX Unix compatibility
+ # is probably installed.
+ echo ${UNAME_MACHINE}-pc-os2-emx
+ exit 0 ;;
+esac
+
+#echo '(No uname command or uname output not recognized.)' 1>&2
+#echo "${UNAME_MACHINE}:${UNAME_SYSTEM}:${UNAME_RELEASE}:${UNAME_VERSION}" 1>&2
+
+cat >$dummy.c <<EOF
+#ifdef _SEQUENT_
+# include <sys/types.h>
+# include <sys/utsname.h>
+#endif
+main ()
+{
+#if defined (sony)
+#if defined (MIPSEB)
+ /* BFD wants "bsd" instead of "newsos". Perhaps BFD should be changed,
+ I don't know.... */
+ printf ("mips-sony-bsd\n"); exit (0);
+#else
+#include <sys/param.h>
+ printf ("m68k-sony-newsos%s\n",
+#ifdef NEWSOS4
+ "4"
+#else
+ ""
+#endif
+ ); exit (0);
+#endif
+#endif
+
+#if defined (__arm) && defined (__acorn) && defined (__unix)
+ printf ("arm-acorn-riscix"); exit (0);
+#endif
+
+#if defined (hp300) && !defined (hpux)
+ printf ("m68k-hp-bsd\n"); exit (0);
+#endif
+
+#if defined (NeXT)
+#if !defined (__ARCHITECTURE__)
+#define __ARCHITECTURE__ "m68k"
+#endif
+ int version;
+ version=`(hostinfo | sed -n 's/.*NeXT Mach \([0-9]*\).*/\1/p') 2>/dev/null`;
+ if (version < 4)
+ printf ("%s-next-nextstep%d\n", __ARCHITECTURE__, version);
+ else
+ printf ("%s-next-openstep%d\n", __ARCHITECTURE__, version);
+ exit (0);
+#endif
+
+#if defined (MULTIMAX) || defined (n16)
+#if defined (UMAXV)
+ printf ("ns32k-encore-sysv\n"); exit (0);
+#else
+#if defined (CMU)
+ printf ("ns32k-encore-mach\n"); exit (0);
+#else
+ printf ("ns32k-encore-bsd\n"); exit (0);
+#endif
+#endif
+#endif
+
+#if defined (__386BSD__)
+ printf ("i386-pc-bsd\n"); exit (0);
+#endif
+
+#if defined (sequent)
+#if defined (i386)
+ printf ("i386-sequent-dynix\n"); exit (0);
+#endif
+#if defined (ns32000)
+ printf ("ns32k-sequent-dynix\n"); exit (0);
+#endif
+#endif
+
+#if defined (_SEQUENT_)
+ struct utsname un;
+
+ uname(&un);
+
+ if (strncmp(un.version, "V2", 2) == 0) {
+ printf ("i386-sequent-ptx2\n"); exit (0);
+ }
+ if (strncmp(un.version, "V1", 2) == 0) { /* XXX is V1 correct? */
+ printf ("i386-sequent-ptx1\n"); exit (0);
+ }
+ printf ("i386-sequent-ptx\n"); exit (0);
+
+#endif
+
+#if defined (vax)
+#if !defined (ultrix)
+ printf ("vax-dec-bsd\n"); exit (0);
+#else
+ printf ("vax-dec-ultrix\n"); exit (0);
+#endif
+#endif
+
+#if defined (alliant) && defined (i860)
+ printf ("i860-alliant-bsd\n"); exit (0);
+#endif
+
+ exit (1);
+}
+EOF
+
+$CC_FOR_BUILD $dummy.c -o $dummy 2>/dev/null && ./$dummy && rm $dummy.c $dummy && exit 0
+rm -f $dummy.c $dummy
+
+# Apollos put the system type in the environment.
+
+test -d /usr/apollo && { echo ${ISP}-apollo-${SYSTYPE}; exit 0; }
+
+# Convex versions that predate uname can use getsysinfo(1)
+
+if [ -x /usr/convex/getsysinfo ]
+then
+ case `getsysinfo -f cpu_type` in
+ c1*)
+ echo c1-convex-bsd
+ exit 0 ;;
+ c2*)
+ if getsysinfo -f scalar_acc
+ then echo c32-convex-bsd
+ else echo c2-convex-bsd
+ fi
+ exit 0 ;;
+ c34*)
+ echo c34-convex-bsd
+ exit 0 ;;
+ c38*)
+ echo c38-convex-bsd
+ exit 0 ;;
+ c4*)
+ echo c4-convex-bsd
+ exit 0 ;;
+ esac
+fi
+
+cat >&2 <<EOF
+$0: unable to guess system type
+
+The $version version of this script cannot recognize your system type.
+Please download the most up to date version of the config scripts:
+
+ ftp://ftp.gnu.org/pub/gnu/config/
+
+If the version you run ($0) is already up to date, please
+send the following data and any information you think might be
+pertinent to <config-patches@gnu.org> in order to provide the needed
+information to handle your system.
+
+config.guess version = $version
+
+uname -m = `(uname -m) 2>/dev/null || echo unknown`
+uname -r = `(uname -r) 2>/dev/null || echo unknown`
+uname -s = `(uname -s) 2>/dev/null || echo unknown`
+uname -v = `(uname -v) 2>/dev/null || echo unknown`
+
+/usr/bin/uname -p = `(/usr/bin/uname -p) 2>/dev/null`
+/bin/uname -X = `(/bin/uname -X) 2>/dev/null`
+
+hostinfo = `(hostinfo) 2>/dev/null`
+/bin/universe = `(/bin/universe) 2>/dev/null`
+/usr/bin/arch -k = `(/usr/bin/arch -k) 2>/dev/null`
+/bin/arch = `(/bin/arch) 2>/dev/null`
+/usr/bin/oslevel = `(/usr/bin/oslevel) 2>/dev/null`
+/usr/convex/getsysinfo = `(/usr/convex/getsysinfo) 2>/dev/null`
+
+UNAME_MACHINE = ${UNAME_MACHINE}
+UNAME_RELEASE = ${UNAME_RELEASE}
+UNAME_SYSTEM = ${UNAME_SYSTEM}
+UNAME_VERSION = ${UNAME_VERSION}
+EOF
+
+exit 1
+
+# Local variables:
+# eval: (add-hook 'write-file-hooks 'time-stamp)
+# time-stamp-start: "timestamp='"
+# time-stamp-format: "%:y-%02m-%02d"
+# time-stamp-end: "'"
+# End:
--- /dev/null
+#! /bin/sh
+# Configuration validation subroutine script.
+# Copyright (C) 1992, 1993, 1994, 1995, 1996, 1997, 1998, 1999, 2000
+# Free Software Foundation, Inc.
+
+timestamp='2000-12-20'
+
+# This file is (in principle) common to ALL GNU software.
+# The presence of a machine in this file suggests that SOME GNU software
+# can handle that machine. It does not imply ALL GNU software can.
+#
+# This file is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2 of the License, or
+# (at your option) any later version.
+#
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330,
+# Boston, MA 02111-1307, USA.
+
+# As a special exception to the GNU General Public License, if you
+# distribute this file as part of a program that contains a
+# configuration script generated by Autoconf, you may include it under
+# the same distribution terms that you use for the rest of that program.
+
+# Please send patches to <config-patches@gnu.org>.
+#
+# Configuration subroutine to validate and canonicalize a configuration type.
+# Supply the specified configuration type as an argument.
+# If it is invalid, we print an error message on stderr and exit with code 1.
+# Otherwise, we print the canonical config type on stdout and succeed.
+
+# This file is supposed to be the same for all GNU packages
+# and recognize all the CPU types, system types and aliases
+# that are meaningful with *any* GNU software.
+# Each package is responsible for reporting which valid configurations
+# it does not support. The user should be able to distinguish
+# a failure to support a valid configuration from a meaningless
+# configuration.
+
+# The goal of this file is to map all the various variations of a given
+# machine specification into a single specification in the form:
+# CPU_TYPE-MANUFACTURER-OPERATING_SYSTEM
+# or in some cases, the newer four-part form:
+# CPU_TYPE-MANUFACTURER-KERNEL-OPERATING_SYSTEM
+# It is wrong to echo any other type of specification.
+
+me=`echo "$0" | sed -e 's,.*/,,'`
+
+usage="\
+Usage: $0 [OPTION] CPU-MFR-OPSYS
+ $0 [OPTION] ALIAS
+
+Canonicalize a configuration name.
+
+Operation modes:
+ -h, --help print this help, then exit
+ -t, --time-stamp print date of last modification, then exit
+ -v, --version print version number, then exit
+
+Report bugs and patches to <config-patches@gnu.org>."
+
+version="\
+GNU config.sub ($timestamp)
+
+Copyright (C) 1992, 93, 94, 95, 96, 97, 98, 99, 2000
+Free Software Foundation, Inc.
+
+This is free software; see the source for copying conditions. There is NO
+warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE."
+
+help="
+Try \`$me --help' for more information."
+
+# Parse command line
+while test $# -gt 0 ; do
+ case $1 in
+ --time-stamp | --time* | -t )
+ echo "$timestamp" ; exit 0 ;;
+ --version | -v )
+ echo "$version" ; exit 0 ;;
+ --help | --h* | -h )
+ echo "$usage"; exit 0 ;;
+ -- ) # Stop option processing
+ shift; break ;;
+ - ) # Use stdin as input.
+ break ;;
+ -* )
+ echo "$me: invalid option $1$help"
+ exit 1 ;;
+
+ *local*)
+ # First pass through any local machine types.
+ echo $1
+ exit 0;;
+
+ * )
+ break ;;
+ esac
+done
+
+case $# in
+ 0) echo "$me: missing argument$help" >&2
+ exit 1;;
+ 1) ;;
+ *) echo "$me: too many arguments$help" >&2
+ exit 1;;
+esac
+
+# Separate what the user gave into CPU-COMPANY and OS or KERNEL-OS (if any).
+# Here we must recognize all the valid KERNEL-OS combinations.
+maybe_os=`echo $1 | sed 's/^\(.*\)-\([^-]*-[^-]*\)$/\2/'`
+case $maybe_os in
+ nto-qnx* | linux-gnu* | storm-chaos*)
+ os=-$maybe_os
+ basic_machine=`echo $1 | sed 's/^\(.*\)-\([^-]*-[^-]*\)$/\1/'`
+ ;;
+ *)
+ basic_machine=`echo $1 | sed 's/-[^-]*$//'`
+ if [ $basic_machine != $1 ]
+ then os=`echo $1 | sed 's/.*-/-/'`
+ else os=; fi
+ ;;
+esac
+
+### Let's recognize common machines as not being operating systems so
+### that things like config.sub decstation-3100 work. We also
+### recognize some manufacturers as not being operating systems, so we
+### can provide default operating systems below.
+case $os in
+ -sun*os*)
+ # Prevent following clause from handling this invalid input.
+ ;;
+ -dec* | -mips* | -sequent* | -encore* | -pc532* | -sgi* | -sony* | \
+ -att* | -7300* | -3300* | -delta* | -motorola* | -sun[234]* | \
+ -unicom* | -ibm* | -next | -hp | -isi* | -apollo | -altos* | \
+ -convergent* | -ncr* | -news | -32* | -3600* | -3100* | -hitachi* |\
+ -c[123]* | -convex* | -sun | -crds | -omron* | -dg | -ultra | -tti* | \
+ -harris | -dolphin | -highlevel | -gould | -cbm | -ns | -masscomp | \
+ -apple | -axis)
+ os=
+ basic_machine=$1
+ ;;
+ -sim | -cisco | -oki | -wec | -winbond)
+ os=
+ basic_machine=$1
+ ;;
+ -scout)
+ ;;
+ -wrs)
+ os=-vxworks
+ basic_machine=$1
+ ;;
+ -hiux*)
+ os=-hiuxwe2
+ ;;
+ -sco5)
+ os=-sco3.2v5
+ basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
+ ;;
+ -sco4)
+ os=-sco3.2v4
+ basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
+ ;;
+ -sco3.2.[4-9]*)
+ os=`echo $os | sed -e 's/sco3.2./sco3.2v/'`
+ basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
+ ;;
+ -sco3.2v[4-9]*)
+ # Don't forget version if it is 3.2v4 or newer.
+ basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
+ ;;
+ -sco*)
+ os=-sco3.2v2
+ basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
+ ;;
+ -udk*)
+ basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
+ ;;
+ -isc)
+ os=-isc2.2
+ basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
+ ;;
+ -clix*)
+ basic_machine=clipper-intergraph
+ ;;
+ -isc*)
+ basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
+ ;;
+ -lynx*)
+ os=-lynxos
+ ;;
+ -ptx*)
+ basic_machine=`echo $1 | sed -e 's/86-.*/86-sequent/'`
+ ;;
+ -windowsnt*)
+ os=`echo $os | sed -e 's/windowsnt/winnt/'`
+ ;;
+ -psos*)
+ os=-psos
+ ;;
+ -mint | -mint[0-9]*)
+ basic_machine=m68k-atari
+ os=-mint
+ ;;
+esac
+
+# Decode aliases for certain CPU-COMPANY combinations.
+case $basic_machine in
+ # Recognize the basic CPU types without company name.
+ # Some are omitted here because they have special meanings below.
+ tahoe | i860 | ia64 | m32r | m68k | m68000 | m88k | ns32k | arc \
+ | arm | arme[lb] | arm[bl]e | armv[2345] | armv[345][lb] | strongarm | xscale \
+ | pyramid | mn10200 | mn10300 | tron | a29k \
+ | 580 | i960 | h8300 \
+ | x86 | ppcbe | mipsbe | mipsle | shbe | shle \
+ | hppa | hppa1.0 | hppa1.1 | hppa2.0 | hppa2.0w | hppa2.0n \
+ | hppa64 \
+ | alpha | alphaev[4-8] | alphaev56 | alphapca5[67] \
+ | alphaev6[78] \
+ | we32k | ns16k | clipper | i370 | sh | sh[34] \
+ | powerpc | powerpcle \
+ | 1750a | dsp16xx | pdp11 | mips16 | mips64 | mipsel | mips64el \
+ | mips64orion | mips64orionel | mipstx39 | mipstx39el \
+ | mips64vr4300 | mips64vr4300el | mips64vr4100 | mips64vr4100el \
+ | mips64vr5000 | miprs64vr5000el | mcore \
+ | sparc | sparclet | sparclite | sparc64 | sparcv9 | v850 | c4x \
+ | thumb | d10v | d30v | fr30 | avr)
+ basic_machine=$basic_machine-unknown
+ ;;
+ m6811 | m68hc11 | m6812 | m68hc12)
+ # Motorola 68HC11/12.
+ basic_machine=$basic_machine-unknown
+ os=-none
+ ;;
+ m88110 | m680[12346]0 | m683?2 | m68360 | m5200 | z8k | v70 | h8500 | w65 | pj | pjl)
+ ;;
+
+ # We use `pc' rather than `unknown'
+ # because (1) that's what they normally are, and
+ # (2) the word "unknown" tends to confuse beginning users.
+ i[234567]86 | x86_64)
+ basic_machine=$basic_machine-pc
+ ;;
+ # Object if more than one company name word.
+ *-*-*)
+ echo Invalid configuration \`$1\': machine \`$basic_machine\' not recognized 1>&2
+ exit 1
+ ;;
+ # Recognize the basic CPU types with company name.
+ # FIXME: clean up the formatting here.
+ vax-* | tahoe-* | i[234567]86-* | i860-* | ia64-* | m32r-* | m68k-* | m68000-* \
+ | m88k-* | sparc-* | ns32k-* | fx80-* | arc-* | c[123]* \
+ | arm-* | armbe-* | armle-* | armv*-* | strongarm-* | xscale-* \
+ | mips-* | pyramid-* | tron-* | a29k-* | romp-* | rs6000-* \
+ | power-* | none-* | 580-* | cray2-* | h8300-* | h8500-* | i960-* \
+ | xmp-* | ymp-* \
+ | x86-* | ppcbe-* | mipsbe-* | mipsle-* | shbe-* | shle-* \
+ | hppa-* | hppa1.0-* | hppa1.1-* | hppa2.0-* | hppa2.0w-* \
+ | hppa2.0n-* | hppa64-* \
+ | alpha-* | alphaev[4-8]-* | alphaev56-* | alphapca5[67]-* \
+ | alphaev6[78]-* \
+ | we32k-* | cydra-* | ns16k-* | pn-* | np1-* | xps100-* \
+ | clipper-* | orion-* \
+ | sparclite-* | pdp11-* | sh-* | powerpc-* | powerpcle-* \
+ | sparc64-* | sparcv9-* | sparc86x-* | mips16-* | mips64-* | mipsel-* \
+ | mips64el-* | mips64orion-* | mips64orionel-* \
+ | mips64vr4100-* | mips64vr4100el-* | mips64vr4300-* | mips64vr4300el-* \
+ | mipstx39-* | mipstx39el-* | mcore-* \
+ | f30[01]-* | f700-* | s390-* | sv1-* | t3e-* \
+ | m88110-* | m680[01234]0-* | m683?2-* | m68360-* | z8k-* | d10v-* \
+ | thumb-* | v850-* | d30v-* | tic30-* | c30-* | fr30-* \
+ | bs2000-* | tic54x-* | c54x-* | x86_64-*)
+ ;;
+ # Recognize the various machine names and aliases which stand
+ # for a CPU type and a company and sometimes even an OS.
+ 386bsd)
+ basic_machine=i386-unknown
+ os=-bsd
+ ;;
+ 3b1 | 7300 | 7300-att | att-7300 | pc7300 | safari | unixpc)
+ basic_machine=m68000-att
+ ;;
+ 3b*)
+ basic_machine=we32k-att
+ ;;
+ a29khif)
+ basic_machine=a29k-amd
+ os=-udi
+ ;;
+ adobe68k)
+ basic_machine=m68010-adobe
+ os=-scout
+ ;;
+ alliant | fx80)
+ basic_machine=fx80-alliant
+ ;;
+ altos | altos3068)
+ basic_machine=m68k-altos
+ ;;
+ am29k)
+ basic_machine=a29k-none
+ os=-bsd
+ ;;
+ amdahl)
+ basic_machine=580-amdahl
+ os=-sysv
+ ;;
+ amiga | amiga-*)
+ basic_machine=m68k-unknown
+ ;;
+ amigaos | amigados)
+ basic_machine=m68k-unknown
+ os=-amigaos
+ ;;
+ amigaunix | amix)
+ basic_machine=m68k-unknown
+ os=-sysv4
+ ;;
+ apollo68)
+ basic_machine=m68k-apollo
+ os=-sysv
+ ;;
+ apollo68bsd)
+ basic_machine=m68k-apollo
+ os=-bsd
+ ;;
+ aux)
+ basic_machine=m68k-apple
+ os=-aux
+ ;;
+ balance)
+ basic_machine=ns32k-sequent
+ os=-dynix
+ ;;
+ convex-c1)
+ basic_machine=c1-convex
+ os=-bsd
+ ;;
+ convex-c2)
+ basic_machine=c2-convex
+ os=-bsd
+ ;;
+ convex-c32)
+ basic_machine=c32-convex
+ os=-bsd
+ ;;
+ convex-c34)
+ basic_machine=c34-convex
+ os=-bsd
+ ;;
+ convex-c38)
+ basic_machine=c38-convex
+ os=-bsd
+ ;;
+ cray | ymp)
+ basic_machine=ymp-cray
+ os=-unicos
+ ;;
+ cray2)
+ basic_machine=cray2-cray
+ os=-unicos
+ ;;
+ [ctj]90-cray)
+ basic_machine=c90-cray
+ os=-unicos
+ ;;
+ crds | unos)
+ basic_machine=m68k-crds
+ ;;
+ cris | cris-* | etrax*)
+ basic_machine=cris-axis
+ ;;
+ da30 | da30-*)
+ basic_machine=m68k-da30
+ ;;
+ decstation | decstation-3100 | pmax | pmax-* | pmin | dec3100 | decstatn)
+ basic_machine=mips-dec
+ ;;
+ delta | 3300 | motorola-3300 | motorola-delta \
+ | 3300-motorola | delta-motorola)
+ basic_machine=m68k-motorola
+ ;;
+ delta88)
+ basic_machine=m88k-motorola
+ os=-sysv3
+ ;;
+ dpx20 | dpx20-*)
+ basic_machine=rs6000-bull
+ os=-bosx
+ ;;
+ dpx2* | dpx2*-bull)
+ basic_machine=m68k-bull
+ os=-sysv3
+ ;;
+ ebmon29k)
+ basic_machine=a29k-amd
+ os=-ebmon
+ ;;
+ elxsi)
+ basic_machine=elxsi-elxsi
+ os=-bsd
+ ;;
+ encore | umax | mmax)
+ basic_machine=ns32k-encore
+ ;;
+ es1800 | OSE68k | ose68k | ose | OSE)
+ basic_machine=m68k-ericsson
+ os=-ose
+ ;;
+ fx2800)
+ basic_machine=i860-alliant
+ ;;
+ genix)
+ basic_machine=ns32k-ns
+ ;;
+ gmicro)
+ basic_machine=tron-gmicro
+ os=-sysv
+ ;;
+ h3050r* | hiux*)
+ basic_machine=hppa1.1-hitachi
+ os=-hiuxwe2
+ ;;
+ h8300hms)
+ basic_machine=h8300-hitachi
+ os=-hms
+ ;;
+ h8300xray)
+ basic_machine=h8300-hitachi
+ os=-xray
+ ;;
+ h8500hms)
+ basic_machine=h8500-hitachi
+ os=-hms
+ ;;
+ harris)
+ basic_machine=m88k-harris
+ os=-sysv3
+ ;;
+ hp300-*)
+ basic_machine=m68k-hp
+ ;;
+ hp300bsd)
+ basic_machine=m68k-hp
+ os=-bsd
+ ;;
+ hp300hpux)
+ basic_machine=m68k-hp
+ os=-hpux
+ ;;
+ hp3k9[0-9][0-9] | hp9[0-9][0-9])
+ basic_machine=hppa1.0-hp
+ ;;
+ hp9k2[0-9][0-9] | hp9k31[0-9])
+ basic_machine=m68000-hp
+ ;;
+ hp9k3[2-9][0-9])
+ basic_machine=m68k-hp
+ ;;
+ hp9k6[0-9][0-9] | hp6[0-9][0-9])
+ basic_machine=hppa1.0-hp
+ ;;
+ hp9k7[0-79][0-9] | hp7[0-79][0-9])
+ basic_machine=hppa1.1-hp
+ ;;
+ hp9k78[0-9] | hp78[0-9])
+ # FIXME: really hppa2.0-hp
+ basic_machine=hppa1.1-hp
+ ;;
+ hp9k8[67]1 | hp8[67]1 | hp9k80[24] | hp80[24] | hp9k8[78]9 | hp8[78]9 | hp9k893 | hp893)
+ # FIXME: really hppa2.0-hp
+ basic_machine=hppa1.1-hp
+ ;;
+ hp9k8[0-9][13679] | hp8[0-9][13679])
+ basic_machine=hppa1.1-hp
+ ;;
+ hp9k8[0-9][0-9] | hp8[0-9][0-9])
+ basic_machine=hppa1.0-hp
+ ;;
+ hppa-next)
+ os=-nextstep3
+ ;;
+ hppaosf)
+ basic_machine=hppa1.1-hp
+ os=-osf
+ ;;
+ hppro)
+ basic_machine=hppa1.1-hp
+ os=-proelf
+ ;;
+ i370-ibm* | ibm*)
+ basic_machine=i370-ibm
+ ;;
+# I'm not sure what "Sysv32" means. Should this be sysv3.2?
+ i[34567]86v32)
+ basic_machine=`echo $1 | sed -e 's/86.*/86-pc/'`
+ os=-sysv32
+ ;;
+ i[34567]86v4*)
+ basic_machine=`echo $1 | sed -e 's/86.*/86-pc/'`
+ os=-sysv4
+ ;;
+ i[34567]86v)
+ basic_machine=`echo $1 | sed -e 's/86.*/86-pc/'`
+ os=-sysv
+ ;;
+ i[34567]86sol2)
+ basic_machine=`echo $1 | sed -e 's/86.*/86-pc/'`
+ os=-solaris2
+ ;;
+ i386mach)
+ basic_machine=i386-mach
+ os=-mach
+ ;;
+ i386-vsta | vsta)
+ basic_machine=i386-unknown
+ os=-vsta
+ ;;
+ i386-go32 | go32)
+ basic_machine=i386-unknown
+ os=-go32
+ ;;
+ i386-mingw32 | mingw32)
+ basic_machine=i386-unknown
+ os=-mingw32
+ ;;
+ i[34567]86-pw32 | pw32)
+ basic_machine=i586-unknown
+ os=-pw32
+ ;;
+ iris | iris4d)
+ basic_machine=mips-sgi
+ case $os in
+ -irix*)
+ ;;
+ *)
+ os=-irix4
+ ;;
+ esac
+ ;;
+ isi68 | isi)
+ basic_machine=m68k-isi
+ os=-sysv
+ ;;
+ m88k-omron*)
+ basic_machine=m88k-omron
+ ;;
+ magnum | m3230)
+ basic_machine=mips-mips
+ os=-sysv
+ ;;
+ merlin)
+ basic_machine=ns32k-utek
+ os=-sysv
+ ;;
+ miniframe)
+ basic_machine=m68000-convergent
+ ;;
+ *mint | -mint[0-9]* | *MiNT | *MiNT[0-9]*)
+ basic_machine=m68k-atari
+ os=-mint
+ ;;
+ mipsel*-linux*)
+ basic_machine=mipsel-unknown
+ os=-linux-gnu
+ ;;
+ mips*-linux*)
+ basic_machine=mips-unknown
+ os=-linux-gnu
+ ;;
+ mips3*-*)
+ basic_machine=`echo $basic_machine | sed -e 's/mips3/mips64/'`
+ ;;
+ mips3*)
+ basic_machine=`echo $basic_machine | sed -e 's/mips3/mips64/'`-unknown
+ ;;
+ mmix*)
+ basic_machine=mmix-knuth
+ os=-mmixware
+ ;;
+ monitor)
+ basic_machine=m68k-rom68k
+ os=-coff
+ ;;
+ msdos)
+ basic_machine=i386-unknown
+ os=-msdos
+ ;;
+ mvs)
+ basic_machine=i370-ibm
+ os=-mvs
+ ;;
+ ncr3000)
+ basic_machine=i486-ncr
+ os=-sysv4
+ ;;
+ netbsd386)
+ basic_machine=i386-unknown
+ os=-netbsd
+ ;;
+ netwinder)
+ basic_machine=armv4l-rebel
+ os=-linux
+ ;;
+ news | news700 | news800 | news900)
+ basic_machine=m68k-sony
+ os=-newsos
+ ;;
+ news1000)
+ basic_machine=m68030-sony
+ os=-newsos
+ ;;
+ news-3600 | risc-news)
+ basic_machine=mips-sony
+ os=-newsos
+ ;;
+ necv70)
+ basic_machine=v70-nec
+ os=-sysv
+ ;;
+ next | m*-next )
+ basic_machine=m68k-next
+ case $os in
+ -nextstep* )
+ ;;
+ -ns2*)
+ os=-nextstep2
+ ;;
+ *)
+ os=-nextstep3
+ ;;
+ esac
+ ;;
+ nh3000)
+ basic_machine=m68k-harris
+ os=-cxux
+ ;;
+ nh[45]000)
+ basic_machine=m88k-harris
+ os=-cxux
+ ;;
+ nindy960)
+ basic_machine=i960-intel
+ os=-nindy
+ ;;
+ mon960)
+ basic_machine=i960-intel
+ os=-mon960
+ ;;
+ nonstopux)
+ basic_machine=mips-compaq
+ os=-nonstopux
+ ;;
+ np1)
+ basic_machine=np1-gould
+ ;;
+ nsr-tandem)
+ basic_machine=nsr-tandem
+ ;;
+ op50n-* | op60c-*)
+ basic_machine=hppa1.1-oki
+ os=-proelf
+ ;;
+ OSE68000 | ose68000)
+ basic_machine=m68000-ericsson
+ os=-ose
+ ;;
+ os68k)
+ basic_machine=m68k-none
+ os=-os68k
+ ;;
+ pa-hitachi)
+ basic_machine=hppa1.1-hitachi
+ os=-hiuxwe2
+ ;;
+ paragon)
+ basic_machine=i860-intel
+ os=-osf
+ ;;
+ pbd)
+ basic_machine=sparc-tti
+ ;;
+ pbb)
+ basic_machine=m68k-tti
+ ;;
+ pc532 | pc532-*)
+ basic_machine=ns32k-pc532
+ ;;
+ pentium | p5 | k5 | k6 | nexgen)
+ basic_machine=i586-pc
+ ;;
+ pentiumpro | p6 | 6x86 | athlon)
+ basic_machine=i686-pc
+ ;;
+ pentiumii | pentium2)
+ basic_machine=i686-pc
+ ;;
+ pentium-* | p5-* | k5-* | k6-* | nexgen-*)
+ basic_machine=i586-`echo $basic_machine | sed 's/^[^-]*-//'`
+ ;;
+ pentiumpro-* | p6-* | 6x86-* | athlon-*)
+ basic_machine=i686-`echo $basic_machine | sed 's/^[^-]*-//'`
+ ;;
+ pentiumii-* | pentium2-*)
+ basic_machine=i686-`echo $basic_machine | sed 's/^[^-]*-//'`
+ ;;
+ pn)
+ basic_machine=pn-gould
+ ;;
+ power) basic_machine=power-ibm
+ ;;
+ ppc) basic_machine=powerpc-unknown
+ ;;
+ ppc-*) basic_machine=powerpc-`echo $basic_machine | sed 's/^[^-]*-//'`
+ ;;
+ ppcle | powerpclittle | ppc-le | powerpc-little)
+ basic_machine=powerpcle-unknown
+ ;;
+ ppcle-* | powerpclittle-*)
+ basic_machine=powerpcle-`echo $basic_machine | sed 's/^[^-]*-//'`
+ ;;
+ ps2)
+ basic_machine=i386-ibm
+ ;;
+ rom68k)
+ basic_machine=m68k-rom68k
+ os=-coff
+ ;;
+ rm[46]00)
+ basic_machine=mips-siemens
+ ;;
+ rtpc | rtpc-*)
+ basic_machine=romp-ibm
+ ;;
+ sa29200)
+ basic_machine=a29k-amd
+ os=-udi
+ ;;
+ sequent)
+ basic_machine=i386-sequent
+ ;;
+ sh)
+ basic_machine=sh-hitachi
+ os=-hms
+ ;;
+ sparclite-wrs)
+ basic_machine=sparclite-wrs
+ os=-vxworks
+ ;;
+ sps7)
+ basic_machine=m68k-bull
+ os=-sysv2
+ ;;
+ spur)
+ basic_machine=spur-unknown
+ ;;
+ st2000)
+ basic_machine=m68k-tandem
+ ;;
+ stratus)
+ basic_machine=i860-stratus
+ os=-sysv4
+ ;;
+ sun2)
+ basic_machine=m68000-sun
+ ;;
+ sun2os3)
+ basic_machine=m68000-sun
+ os=-sunos3
+ ;;
+ sun2os4)
+ basic_machine=m68000-sun
+ os=-sunos4
+ ;;
+ sun3os3)
+ basic_machine=m68k-sun
+ os=-sunos3
+ ;;
+ sun3os4)
+ basic_machine=m68k-sun
+ os=-sunos4
+ ;;
+ sun4os3)
+ basic_machine=sparc-sun
+ os=-sunos3
+ ;;
+ sun4os4)
+ basic_machine=sparc-sun
+ os=-sunos4
+ ;;
+ sun4sol2)
+ basic_machine=sparc-sun
+ os=-solaris2
+ ;;
+ sun3 | sun3-*)
+ basic_machine=m68k-sun
+ ;;
+ sun4)
+ basic_machine=sparc-sun
+ ;;
+ sun386 | sun386i | roadrunner)
+ basic_machine=i386-sun
+ ;;
+ sv1)
+ basic_machine=sv1-cray
+ os=-unicos
+ ;;
+ symmetry)
+ basic_machine=i386-sequent
+ os=-dynix
+ ;;
+ t3e)
+ basic_machine=t3e-cray
+ os=-unicos
+ ;;
+ tic54x | c54x*)
+ basic_machine=tic54x-unknown
+ os=-coff
+ ;;
+ tx39)
+ basic_machine=mipstx39-unknown
+ ;;
+ tx39el)
+ basic_machine=mipstx39el-unknown
+ ;;
+ tower | tower-32)
+ basic_machine=m68k-ncr
+ ;;
+ udi29k)
+ basic_machine=a29k-amd
+ os=-udi
+ ;;
+ ultra3)
+ basic_machine=a29k-nyu
+ os=-sym1
+ ;;
+ v810 | necv810)
+ basic_machine=v810-nec
+ os=-none
+ ;;
+ vaxv)
+ basic_machine=vax-dec
+ os=-sysv
+ ;;
+ vms)
+ basic_machine=vax-dec
+ os=-vms
+ ;;
+ vpp*|vx|vx-*)
+ basic_machine=f301-fujitsu
+ ;;
+ vxworks960)
+ basic_machine=i960-wrs
+ os=-vxworks
+ ;;
+ vxworks68)
+ basic_machine=m68k-wrs
+ os=-vxworks
+ ;;
+ vxworks29k)
+ basic_machine=a29k-wrs
+ os=-vxworks
+ ;;
+ w65*)
+ basic_machine=w65-wdc
+ os=-none
+ ;;
+ w89k-*)
+ basic_machine=hppa1.1-winbond
+ os=-proelf
+ ;;
+ xmp)
+ basic_machine=xmp-cray
+ os=-unicos
+ ;;
+ xps | xps100)
+ basic_machine=xps100-honeywell
+ ;;
+ z8k-*-coff)
+ basic_machine=z8k-unknown
+ os=-sim
+ ;;
+ none)
+ basic_machine=none-none
+ os=-none
+ ;;
+
+# Here we handle the default manufacturer of certain CPU types. It is in
+# some cases the only manufacturer, in others, it is the most popular.
+ w89k)
+ basic_machine=hppa1.1-winbond
+ ;;
+ op50n)
+ basic_machine=hppa1.1-oki
+ ;;
+ op60c)
+ basic_machine=hppa1.1-oki
+ ;;
+ mips)
+ if [ x$os = x-linux-gnu ]; then
+ basic_machine=mips-unknown
+ else
+ basic_machine=mips-mips
+ fi
+ ;;
+ romp)
+ basic_machine=romp-ibm
+ ;;
+ rs6000)
+ basic_machine=rs6000-ibm
+ ;;
+ vax)
+ basic_machine=vax-dec
+ ;;
+ pdp11)
+ basic_machine=pdp11-dec
+ ;;
+ we32k)
+ basic_machine=we32k-att
+ ;;
+ sh3 | sh4)
+ basic_machine=sh-unknown
+ ;;
+ sparc | sparcv9)
+ basic_machine=sparc-sun
+ ;;
+ cydra)
+ basic_machine=cydra-cydrome
+ ;;
+ orion)
+ basic_machine=orion-highlevel
+ ;;
+ orion105)
+ basic_machine=clipper-highlevel
+ ;;
+ mac | mpw | mac-mpw)
+ basic_machine=m68k-apple
+ ;;
+ pmac | pmac-mpw)
+ basic_machine=powerpc-apple
+ ;;
+ c4x*)
+ basic_machine=c4x-none
+ os=-coff
+ ;;
+ *)
+ echo Invalid configuration \`$1\': machine \`$basic_machine\' not recognized 1>&2
+ exit 1
+ ;;
+esac
+
+# Here we canonicalize certain aliases for manufacturers.
+case $basic_machine in
+ *-digital*)
+ basic_machine=`echo $basic_machine | sed 's/digital.*/dec/'`
+ ;;
+ *-commodore*)
+ basic_machine=`echo $basic_machine | sed 's/commodore.*/cbm/'`
+ ;;
+ *)
+ ;;
+esac
+
+# Decode manufacturer-specific aliases for certain operating systems.
+
+if [ x"$os" != x"" ]
+then
+case $os in
+ # First match some system type aliases
+ # that might get confused with valid system types.
+ # -solaris* is a basic system type, with this one exception.
+ -solaris1 | -solaris1.*)
+ os=`echo $os | sed -e 's|solaris1|sunos4|'`
+ ;;
+ -solaris)
+ os=-solaris2
+ ;;
+ -svr4*)
+ os=-sysv4
+ ;;
+ -unixware*)
+ os=-sysv4.2uw
+ ;;
+ -gnu/linux*)
+ os=`echo $os | sed -e 's|gnu/linux|linux-gnu|'`
+ ;;
+ # First accept the basic system types.
+ # The portable systems comes first.
+ # Each alternative MUST END IN A *, to match a version number.
+ # -sysv* is not here because it comes later, after sysvr4.
+ -gnu* | -bsd* | -mach* | -minix* | -genix* | -ultrix* | -irix* \
+ | -*vms* | -sco* | -esix* | -isc* | -aix* | -sunos | -sunos[34]*\
+ | -hpux* | -unos* | -osf* | -luna* | -dgux* | -solaris* | -sym* \
+ | -amigaos* | -amigados* | -msdos* | -newsos* | -unicos* | -aof* \
+ | -aos* \
+ | -nindy* | -vxsim* | -vxworks* | -ebmon* | -hms* | -mvs* \
+ | -clix* | -riscos* | -uniplus* | -iris* | -rtu* | -xenix* \
+ | -hiux* | -386bsd* | -netbsd* | -openbsd* | -freebsd* | -riscix* \
+ | -lynxos* | -bosx* | -nextstep* | -cxux* | -aout* | -elf* | -oabi* \
+ | -ptx* | -coff* | -ecoff* | -winnt* | -domain* | -vsta* \
+ | -udi* | -eabi* | -lites* | -ieee* | -go32* | -aux* \
+ | -cygwin* | -pe* | -psos* | -moss* | -proelf* | -rtems* \
+ | -mingw32* | -linux-gnu* | -uxpv* | -beos* | -mpeix* | -udk* \
+ | -interix* | -uwin* | -rhapsody* | -darwin* | -opened* \
+ | -openstep* | -oskit* | -conix* | -pw32* | -nonstopux* | -storm-chaos*)
+ # Remember, each alternative MUST END IN *, to match a version number.
+ ;;
+ -qnx*)
+ case $basic_machine in
+ x86-* | i[34567]86-*)
+ ;;
+ *)
+ os=-nto$os
+ ;;
+ esac
+ ;;
+ -nto*)
+ os=-nto-qnx
+ ;;
+ -sim | -es1800* | -hms* | -xray | -os68k* | -none* | -v88r* \
+ | -windows* | -osx | -abug | -netware* | -os9* | -beos* \
+ | -macos* | -mpw* | -magic* | -mmixware* | -mon960* | -lnews*)
+ ;;
+ -mac*)
+ os=`echo $os | sed -e 's|mac|macos|'`
+ ;;
+ -linux*)
+ os=`echo $os | sed -e 's|linux|linux-gnu|'`
+ ;;
+ -sunos5*)
+ os=`echo $os | sed -e 's|sunos5|solaris2|'`
+ ;;
+ -sunos6*)
+ os=`echo $os | sed -e 's|sunos6|solaris3|'`
+ ;;
+ -opened*)
+ os=-openedition
+ ;;
+ -wince*)
+ os=-wince
+ ;;
+ -osfrose*)
+ os=-osfrose
+ ;;
+ -osf*)
+ os=-osf
+ ;;
+ -utek*)
+ os=-bsd
+ ;;
+ -dynix*)
+ os=-bsd
+ ;;
+ -acis*)
+ os=-aos
+ ;;
+ -386bsd)
+ os=-bsd
+ ;;
+ -ctix* | -uts*)
+ os=-sysv
+ ;;
+ -ns2 )
+ os=-nextstep2
+ ;;
+ -nsk*)
+ os=-nsk
+ ;;
+ # Preserve the version number of sinix5.
+ -sinix5.*)
+ os=`echo $os | sed -e 's|sinix|sysv|'`
+ ;;
+ -sinix*)
+ os=-sysv4
+ ;;
+ -triton*)
+ os=-sysv3
+ ;;
+ -oss*)
+ os=-sysv3
+ ;;
+ -svr4)
+ os=-sysv4
+ ;;
+ -svr3)
+ os=-sysv3
+ ;;
+ -sysvr4)
+ os=-sysv4
+ ;;
+ # This must come after -sysvr4.
+ -sysv*)
+ ;;
+ -ose*)
+ os=-ose
+ ;;
+ -es1800*)
+ os=-ose
+ ;;
+ -xenix)
+ os=-xenix
+ ;;
+ -*mint | -mint[0-9]* | -*MiNT | -MiNT[0-9]*)
+ os=-mint
+ ;;
+ -none)
+ ;;
+ *)
+ # Get rid of the `-' at the beginning of $os.
+ os=`echo $os | sed 's/[^-]*-//'`
+ echo Invalid configuration \`$1\': system \`$os\' not recognized 1>&2
+ exit 1
+ ;;
+esac
+else
+
+# Here we handle the default operating systems that come with various machines.
+# The value should be what the vendor currently ships out the door with their
+# machine or put another way, the most popular os provided with the machine.
+
+# Note that if you're going to try to match "-MANUFACTURER" here (say,
+# "-sun"), then you have to tell the case statement up towards the top
+# that MANUFACTURER isn't an operating system. Otherwise, code above
+# will signal an error saying that MANUFACTURER isn't an operating
+# system, and we'll never get to this point.
+
+case $basic_machine in
+ *-acorn)
+ os=-riscix1.2
+ ;;
+ arm*-rebel)
+ os=-linux
+ ;;
+ arm*-semi)
+ os=-aout
+ ;;
+ pdp11-*)
+ os=-none
+ ;;
+ *-dec | vax-*)
+ os=-ultrix4.2
+ ;;
+ m68*-apollo)
+ os=-domain
+ ;;
+ i386-sun)
+ os=-sunos4.0.2
+ ;;
+ m68000-sun)
+ os=-sunos3
+ # This also exists in the configure program, but was not the
+ # default.
+ # os=-sunos4
+ ;;
+ m68*-cisco)
+ os=-aout
+ ;;
+ mips*-cisco)
+ os=-elf
+ ;;
+ mips*-*)
+ os=-elf
+ ;;
+ *-tti) # must be before sparc entry or we get the wrong os.
+ os=-sysv3
+ ;;
+ sparc-* | *-sun)
+ os=-sunos4.1.1
+ ;;
+ *-be)
+ os=-beos
+ ;;
+ *-ibm)
+ os=-aix
+ ;;
+ *-wec)
+ os=-proelf
+ ;;
+ *-winbond)
+ os=-proelf
+ ;;
+ *-oki)
+ os=-proelf
+ ;;
+ *-hp)
+ os=-hpux
+ ;;
+ *-hitachi)
+ os=-hiux
+ ;;
+ i860-* | *-att | *-ncr | *-altos | *-motorola | *-convergent)
+ os=-sysv
+ ;;
+ *-cbm)
+ os=-amigaos
+ ;;
+ *-dg)
+ os=-dgux
+ ;;
+ *-dolphin)
+ os=-sysv3
+ ;;
+ m68k-ccur)
+ os=-rtu
+ ;;
+ m88k-omron*)
+ os=-luna
+ ;;
+ *-next )
+ os=-nextstep
+ ;;
+ *-sequent)
+ os=-ptx
+ ;;
+ *-crds)
+ os=-unos
+ ;;
+ *-ns)
+ os=-genix
+ ;;
+ i370-*)
+ os=-mvs
+ ;;
+ *-next)
+ os=-nextstep3
+ ;;
+ *-gould)
+ os=-sysv
+ ;;
+ *-highlevel)
+ os=-bsd
+ ;;
+ *-encore)
+ os=-bsd
+ ;;
+ *-sgi)
+ os=-irix
+ ;;
+ *-siemens)
+ os=-sysv4
+ ;;
+ *-masscomp)
+ os=-rtu
+ ;;
+ f30[01]-fujitsu | f700-fujitsu)
+ os=-uxpv
+ ;;
+ *-rom68k)
+ os=-coff
+ ;;
+ *-*bug)
+ os=-coff
+ ;;
+ *-apple)
+ os=-macos
+ ;;
+ *-atari*)
+ os=-mint
+ ;;
+ *)
+ os=-none
+ ;;
+esac
+fi
+
+# Here we handle the case where we know the os, and the CPU type, but not the
+# manufacturer. We pick the logical manufacturer.
+vendor=unknown
+case $basic_machine in
+ *-unknown)
+ case $os in
+ -riscix*)
+ vendor=acorn
+ ;;
+ -sunos*)
+ vendor=sun
+ ;;
+ -aix*)
+ vendor=ibm
+ ;;
+ -beos*)
+ vendor=be
+ ;;
+ -hpux*)
+ vendor=hp
+ ;;
+ -mpeix*)
+ vendor=hp
+ ;;
+ -hiux*)
+ vendor=hitachi
+ ;;
+ -unos*)
+ vendor=crds
+ ;;
+ -dgux*)
+ vendor=dg
+ ;;
+ -luna*)
+ vendor=omron
+ ;;
+ -genix*)
+ vendor=ns
+ ;;
+ -mvs* | -opened*)
+ vendor=ibm
+ ;;
+ -ptx*)
+ vendor=sequent
+ ;;
+ -vxsim* | -vxworks*)
+ vendor=wrs
+ ;;
+ -aux*)
+ vendor=apple
+ ;;
+ -hms*)
+ vendor=hitachi
+ ;;
+ -mpw* | -macos*)
+ vendor=apple
+ ;;
+ -*mint | -mint[0-9]* | -*MiNT | -MiNT[0-9]*)
+ vendor=atari
+ ;;
+ esac
+ basic_machine=`echo $basic_machine | sed "s/unknown/$vendor/"`
+ ;;
+esac
+
+echo $basic_machine$os
+exit 0
+
+# Local variables:
+# eval: (add-hook 'write-file-hooks 'time-stamp)
+# time-stamp-start: "timestamp='"
+# time-stamp-format: "%:y-%02m-%02d"
+# time-stamp-end: "'"
+# End:
--- /dev/null
+#! /bin/sh
+
+# depcomp - compile a program generating dependencies as side-effects
+# Copyright 1999, 2000 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# Originally written by Alexandre Oliva <oliva@dcc.unicamp.br>.
+
+if test -z "$depmode" || test -z "$source" || test -z "$object"; then
+ echo "depcomp: Variables source, object and depmode must be set" 1>&2
+ exit 1
+fi
+# `libtool' can also be set to `yes' or `no'.
+
+depfile=${depfile-`echo "$object" | sed 's,\([^/]*\)$,.deps/\1,;s/\.\([^.]*\)$/.P\1/'`}
+tmpdepfile=${tmpdepfile-`echo "$depfile" | sed 's/\.\([^.]*\)$/.T\1/'`}
+
+rm -f "$tmpdepfile"
+
+# Some modes work just like other modes, but use different flags. We
+# parameterize here, but still list the modes in the big case below,
+# to make depend.m4 easier to write. Note that we *cannot* use a case
+# here, because this file can only contain one case statement.
+if test "$depmode" = hp; then
+ # HP compiler uses -M and no extra arg.
+ gccflag=-M
+ depmode=gcc
+fi
+
+if test "$depmode" = dashXmstdout; then
+ # This is just like dashmstdout with a different argument.
+ dashmflag=-xM
+ depmode=dashmstdout
+fi
+
+case "$depmode" in
+gcc3)
+## gcc 3 implements dependency tracking that does exactly what
+## we want. Yay!
+ exec "$@" -MT "$object" -MF "$depfile" -MD -MP
+ ;;
+
+gcc)
+## There are various ways to get dependency output from gcc. Here's
+## why we pick this rather obscure method:
+## - Don't want to use -MD because we'd like the dependencies to end
+## up in a subdir. Having to rename by hand is ugly.
+## (We might end up doing this anyway to support other compilers.)
+## - The DEPENDENCIES_OUTPUT environment variable makes gcc act like
+## -MM, not -M (despite what the docs say).
+## - Using -M directly means running the compiler twice (even worse
+## than renaming).
+ if test -z "$gccflag"; then
+ gccflag=-MD,
+ fi
+ if "$@" -Wp,"$gccflag$tmpdepfile"; then :
+ else
+ stat=$?
+ rm -f "$tmpdepfile"
+ exit $stat
+ fi
+ rm -f "$depfile"
+ echo "$object : \\" > "$depfile"
+ alpha=ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz
+## The second -e expression handles DOS-style file names with drive letters.
+ sed -e 's/^[^:]*: / /' \
+ -e 's/^['$alpha']:\/[^:]*: / /' < "$tmpdepfile" >> "$depfile"
+## This next piece of magic avoids the `deleted header file' problem.
+## The problem is that when a header file which appears in a .P file
+## is deleted, the dependency causes make to die (because there is
+## typically no way to rebuild the header). We avoid this by adding
+## dummy dependencies for each header file. Too bad gcc doesn't do
+## this for us directly.
+ tr ' ' '
+' < "$tmpdepfile" |
+## Some versions of gcc put a space before the `:'. On the theory
+## that the space means something, we add a space to the output as
+## well.
+## Some versions of the HPUX 10.20 sed can't process this invocation
+## correctly. Breaking it into two sed invocations is a workaround.
+ sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
+ rm -f "$tmpdepfile"
+ ;;
+
+hp)
+ # This case exists only to let depend.m4 do its work. It works by
+ # looking at the text of this script. This case will never be run,
+ # since it is checked for above.
+ exit 1
+ ;;
+
+sgi)
+ if test "$libtool" = yes; then
+ "$@" "-Wp,-MDupdate,$tmpdepfile"
+ else
+ "$@" -MDupdate "$tmpdepfile"
+ fi
+ stat=$?
+ if test $stat -eq 0; then :
+ else
+ rm -f "$tmpdepfile"
+ exit $stat
+ fi
+ rm -f "$depfile"
+
+ if test -f "$tmpdepfile"; then # yes, the sourcefile depend on other files
+ echo "$object : \\" > "$depfile"
+
+ # Clip off the initial element (the dependent). Don't try to be
+ # clever and replace this with sed code, as IRIX sed won't handle
+ # lines with more than a fixed number of characters (4096 in
+ # IRIX 6.2 sed, 8192 in IRIX 6.5).
+ tr ' ' '
+' < "$tmpdepfile" | sed 's/^[^\.]*\.o://' | tr '
+' ' ' >> $depfile
+
+ tr ' ' '
+' < "$tmpdepfile" | \
+## Some versions of the HPUX 10.20 sed can't process this invocation
+## correctly. Breaking it into two sed invocations is a workaround.
+ sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
+ else
+ # The sourcefile does not contain any dependencies, so just
+ # store a dummy comment line, to avoid errors with the Makefile
+ # "include basename.Plo" scheme.
+ echo "#dummy" > "$depfile"
+ fi
+ rm -f "$tmpdepfile"
+ ;;
+
+aix)
+ # The C for AIX Compiler uses -M and outputs the dependencies
+ # in a .u file.
+ tmpdepfile=`echo "$object" | sed 's/\(.*\)\..*$/\1.u/'`
+ if test "$libtool" = yes; then
+ "$@" -Wc,-M
+ else
+ "$@" -M
+ fi
+
+ stat=$?
+ if test $stat -eq 0; then :
+ else
+ rm -f "$tmpdepfile"
+ exit $stat
+ fi
+
+ if test -f "$tmpdepfile"; then
+ echo "$object : \\" > "$depfile"
+
+ # Clip off the initial element (the dependent). Don't try to be
+ # clever and replace this with sed code, as IRIX sed won't handle
+ # lines with more than a fixed number of characters (4096 in
+ # IRIX 6.2 sed, 8192 in IRIX 6.5).
+ tr ' ' '
+' < "$tmpdepfile" | sed 's/^[^\.]*\.o://' | tr '
+' ' ' >> $depfile
+
+ tr ' ' '
+' < "$tmpdepfile" | \
+## Some versions of the HPUX 10.20 sed can't process this invocation
+## correctly. Breaking it into two sed invocations is a workaround.
+ sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
+ else
+ # The sourcefile does not contain any dependencies, so just
+ # store a dummy comment line, to avoid errors with the Makefile
+ # "include basename.Plo" scheme.
+ echo "#dummy" > "$depfile"
+ fi
+ rm -f "$tmpdepfile"
+ ;;
+
+#nosideeffect)
+ # This comment above is used by automake to tell side-effect
+ # dependency tracking mechanisms from slower ones.
+
+dashmstdout)
+ # Important note: in order to support this mode, a compiler *must*
+ # always write the proprocessed file to stdout, regardless of -o,
+ # because we must use -o when running libtool.
+ test -z "$dashmflag" && dashmflag=-M
+ ( IFS=" "
+ case " $* " in
+ *" --mode=compile "*) # this is libtool, let us make it quiet
+ for arg
+ do # cycle over the arguments
+ case "$arg" in
+ "--mode=compile")
+ # insert --quiet before "--mode=compile"
+ set fnord "$@" --quiet
+ shift # fnord
+ ;;
+ esac
+ set fnord "$@" "$arg"
+ shift # fnord
+ shift # "$arg"
+ done
+ ;;
+ esac
+ "$@" $dashmflag | sed 's:^[^:]*\:[ ]*:'"$object"'\: :' > "$tmpdepfile"
+ ) &
+ proc=$!
+ "$@"
+ stat=$?
+ wait "$proc"
+ if test "$stat" != 0; then exit $stat; fi
+ rm -f "$depfile"
+ cat < "$tmpdepfile" > "$depfile"
+ tr ' ' '
+' < "$tmpdepfile" | \
+## Some versions of the HPUX 10.20 sed can't process this invocation
+## correctly. Breaking it into two sed invocations is a workaround.
+ sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
+ rm -f "$tmpdepfile"
+ ;;
+
+dashXmstdout)
+ # This case only exists to satisfy depend.m4. It is never actually
+ # run, as this mode is specially recognized in the preamble.
+ exit 1
+ ;;
+
+makedepend)
+ # X makedepend
+ (
+ shift
+ cleared=no
+ for arg in "$@"; do
+ case $cleared in no)
+ set ""; shift
+ cleared=yes
+ esac
+ case "$arg" in
+ -D*|-I*)
+ set fnord "$@" "$arg"; shift;;
+ -*)
+ ;;
+ *)
+ set fnord "$@" "$arg"; shift;;
+ esac
+ done
+ obj_suffix="`echo $object | sed 's/^.*\././'`"
+ touch "$tmpdepfile"
+ ${MAKEDEPEND-makedepend} 2>/dev/null -o"$obj_suffix" -f"$tmpdepfile" "$@"
+ ) &
+ proc=$!
+ "$@"
+ stat=$?
+ wait "$proc"
+ if test "$stat" != 0; then exit $stat; fi
+ rm -f "$depfile"
+ cat < "$tmpdepfile" > "$depfile"
+ tail +3 "$tmpdepfile" | tr ' ' '
+' | \
+## Some versions of the HPUX 10.20 sed can't process this invocation
+## correctly. Breaking it into two sed invocations is a workaround.
+ sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
+ rm -f "$tmpdepfile" "$tmpdepfile".bak
+ ;;
+
+cpp)
+ # Important note: in order to support this mode, a compiler *must*
+ # always write the proprocessed file to stdout, regardless of -o,
+ # because we must use -o when running libtool.
+ ( IFS=" "
+ case " $* " in
+ *" --mode=compile "*)
+ for arg
+ do # cycle over the arguments
+ case $arg in
+ "--mode=compile")
+ # insert --quiet before "--mode=compile"
+ set fnord "$@" --quiet
+ shift # fnord
+ ;;
+ esac
+ set fnord "$@" "$arg"
+ shift # fnord
+ shift # "$arg"
+ done
+ ;;
+ esac
+ "$@" -E |
+ sed -n '/^# [0-9][0-9]* "\([^"]*\)".*/ s:: \1 \\:p' |
+ sed '$ s: \\$::' > "$tmpdepfile"
+ ) &
+ proc=$!
+ "$@"
+ stat=$?
+ wait "$proc"
+ if test "$stat" != 0; then exit $stat; fi
+ rm -f "$depfile"
+ echo "$object : \\" > "$depfile"
+ cat < "$tmpdepfile" >> "$depfile"
+ sed < "$tmpdepfile" '/^$/d;s/^ //;s/ \\$//;s/$/ :/' >> "$depfile"
+ rm -f "$tmpdepfile"
+ ;;
+
+msvisualcpp)
+ # Important note: in order to support this mode, a compiler *must*
+ # always write the proprocessed file to stdout, regardless of -o,
+ # because we must use -o when running libtool.
+ ( IFS=" "
+ case " $* " in
+ *" --mode=compile "*)
+ for arg
+ do # cycle over the arguments
+ case $arg in
+ "--mode=compile")
+ # insert --quiet before "--mode=compile"
+ set fnord "$@" --quiet
+ shift # fnord
+ ;;
+ esac
+ set fnord "$@" "$arg"
+ shift # fnord
+ shift # "$arg"
+ done
+ ;;
+ esac
+ "$@" -E |
+ sed -n '/^#line [0-9][0-9]* "\([^"]*\)"/ s::echo "`cygpath -u \\"\1\\"`":p' | sort | uniq > "$tmpdepfile"
+ ) &
+ proc=$!
+ "$@"
+ stat=$?
+ wait "$proc"
+ if test "$stat" != 0; then exit $stat; fi
+ rm -f "$depfile"
+ echo "$object : \\" > "$depfile"
+ . "$tmpdepfile" | sed 's% %\\ %g' | sed -n '/^\(.*\)$/ s:: \1 \\:p' >> "$depfile"
+ echo " " >> "$depfile"
+ . "$tmpdepfile" | sed 's% %\\ %g' | sed -n '/^\(.*\)$/ s::\1\::p' >> "$depfile"
+ rm -f "$tmpdepfile"
+ ;;
+
+none)
+ exec "$@"
+ ;;
+
+*)
+ echo "Unknown depmode $depmode" 1>&2
+ exit 1
+ ;;
+esac
+
+exit 0
--- /dev/null
+#!/bin/sh
+#
+# install - install a program, script, or datafile
+# This comes from X11R5 (mit/util/scripts/install.sh).
+#
+# Copyright 1991 by the Massachusetts Institute of Technology
+#
+# Permission to use, copy, modify, distribute, and sell this software and its
+# documentation for any purpose is hereby granted without fee, provided that
+# the above copyright notice appear in all copies and that both that
+# copyright notice and this permission notice appear in supporting
+# documentation, and that the name of M.I.T. not be used in advertising or
+# publicity pertaining to distribution of the software without specific,
+# written prior permission. M.I.T. makes no representations about the
+# suitability of this software for any purpose. It is provided "as is"
+# without express or implied warranty.
+#
+# Calling this script install-sh is preferred over install.sh, to prevent
+# `make' implicit rules from creating a file called install from it
+# when there is no Makefile.
+#
+# This script is compatible with the BSD install script, but was written
+# from scratch. It can only install one file at a time, a restriction
+# shared with many OS's install programs.
+
+
+# set DOITPROG to echo to test this script
+
+# Don't use :- since 4.3BSD and earlier shells don't like it.
+doit="${DOITPROG-}"
+
+
+# put in absolute paths if you don't have them in your path; or use env. vars.
+
+mvprog="${MVPROG-mv}"
+cpprog="${CPPROG-cp}"
+chmodprog="${CHMODPROG-chmod}"
+chownprog="${CHOWNPROG-chown}"
+chgrpprog="${CHGRPPROG-chgrp}"
+stripprog="${STRIPPROG-strip}"
+rmprog="${RMPROG-rm}"
+mkdirprog="${MKDIRPROG-mkdir}"
+
+transformbasename=""
+transform_arg=""
+instcmd="$mvprog"
+chmodcmd="$chmodprog 0755"
+chowncmd=""
+chgrpcmd=""
+stripcmd=""
+rmcmd="$rmprog -f"
+mvcmd="$mvprog"
+src=""
+dst=""
+dir_arg=""
+
+while [ x"$1" != x ]; do
+ case $1 in
+ -c) instcmd="$cpprog"
+ shift
+ continue;;
+
+ -d) dir_arg=true
+ shift
+ continue;;
+
+ -m) chmodcmd="$chmodprog $2"
+ shift
+ shift
+ continue;;
+
+ -o) chowncmd="$chownprog $2"
+ shift
+ shift
+ continue;;
+
+ -g) chgrpcmd="$chgrpprog $2"
+ shift
+ shift
+ continue;;
+
+ -s) stripcmd="$stripprog"
+ shift
+ continue;;
+
+ -t=*) transformarg=`echo $1 | sed 's/-t=//'`
+ shift
+ continue;;
+
+ -b=*) transformbasename=`echo $1 | sed 's/-b=//'`
+ shift
+ continue;;
+
+ *) if [ x"$src" = x ]
+ then
+ src=$1
+ else
+ # this colon is to work around a 386BSD /bin/sh bug
+ :
+ dst=$1
+ fi
+ shift
+ continue;;
+ esac
+done
+
+if [ x"$src" = x ]
+then
+ echo "install: no input file specified"
+ exit 1
+else
+ true
+fi
+
+if [ x"$dir_arg" != x ]; then
+ dst=$src
+ src=""
+
+ if [ -d $dst ]; then
+ instcmd=:
+ chmodcmd=""
+ else
+ instcmd=mkdir
+ fi
+else
+
+# Waiting for this to be detected by the "$instcmd $src $dsttmp" command
+# might cause directories to be created, which would be especially bad
+# if $src (and thus $dsttmp) contains '*'.
+
+ if [ -f $src -o -d $src ]
+ then
+ true
+ else
+ echo "install: $src does not exist"
+ exit 1
+ fi
+
+ if [ x"$dst" = x ]
+ then
+ echo "install: no destination specified"
+ exit 1
+ else
+ true
+ fi
+
+# If destination is a directory, append the input filename; if your system
+# does not like double slashes in filenames, you may need to add some logic
+
+ if [ -d $dst ]
+ then
+ dst="$dst"/`basename $src`
+ else
+ true
+ fi
+fi
+
+## this sed command emulates the dirname command
+dstdir=`echo $dst | sed -e 's,[^/]*$,,;s,/$,,;s,^$,.,'`
+
+# Make sure that the destination directory exists.
+# this part is taken from Noah Friedman's mkinstalldirs script
+
+# Skip lots of stat calls in the usual case.
+if [ ! -d "$dstdir" ]; then
+defaultIFS='
+'
+IFS="${IFS-${defaultIFS}}"
+
+oIFS="${IFS}"
+# Some sh's can't handle IFS=/ for some reason.
+IFS='%'
+set - `echo ${dstdir} | sed -e 's@/@%@g' -e 's@^%@/@'`
+IFS="${oIFS}"
+
+pathcomp=''
+
+while [ $# -ne 0 ] ; do
+ pathcomp="${pathcomp}${1}"
+ shift
+
+ if [ ! -d "${pathcomp}" ] ;
+ then
+ $mkdirprog "${pathcomp}"
+ else
+ true
+ fi
+
+ pathcomp="${pathcomp}/"
+done
+fi
+
+if [ x"$dir_arg" != x ]
+then
+ $doit $instcmd $dst &&
+
+ if [ x"$chowncmd" != x ]; then $doit $chowncmd $dst; else true ; fi &&
+ if [ x"$chgrpcmd" != x ]; then $doit $chgrpcmd $dst; else true ; fi &&
+ if [ x"$stripcmd" != x ]; then $doit $stripcmd $dst; else true ; fi &&
+ if [ x"$chmodcmd" != x ]; then $doit $chmodcmd $dst; else true ; fi
+else
+
+# If we're going to rename the final executable, determine the name now.
+
+ if [ x"$transformarg" = x ]
+ then
+ dstfile=`basename $dst`
+ else
+ dstfile=`basename $dst $transformbasename |
+ sed $transformarg`$transformbasename
+ fi
+
+# don't allow the sed command to completely eliminate the filename
+
+ if [ x"$dstfile" = x ]
+ then
+ dstfile=`basename $dst`
+ else
+ true
+ fi
+
+# Make a temp file name in the proper directory.
+
+ dsttmp=$dstdir/#inst.$$#
+
+# Move or copy the file name to the temp name
+
+ $doit $instcmd $src $dsttmp &&
+
+ trap "rm -f ${dsttmp}" 0 &&
+
+# and set any options; do chmod last to preserve setuid bits
+
+# If any of these fail, we abort the whole thing. If we want to
+# ignore errors from any of these, just make sure not to ignore
+# errors from the above "$doit $instcmd $src $dsttmp" command.
+
+ if [ x"$chowncmd" != x ]; then $doit $chowncmd $dsttmp; else true;fi &&
+ if [ x"$chgrpcmd" != x ]; then $doit $chgrpcmd $dsttmp; else true;fi &&
+ if [ x"$stripcmd" != x ]; then $doit $stripcmd $dsttmp; else true;fi &&
+ if [ x"$chmodcmd" != x ]; then $doit $chmodcmd $dsttmp; else true;fi &&
+
+# Now rename the file to the real destination.
+
+ $doit $rmcmd -f $dstdir/$dstfile &&
+ $doit $mvcmd $dsttmp $dstdir/$dstfile
+
+fi &&
+
+
+exit 0
--- /dev/null
+#! /bin/sh
+# Common stub for a few missing GNU programs while installing.
+# Copyright 1996, 1997, 1999, 2000 Free Software Foundation, Inc.
+# Originally by Fran,cois Pinard <pinard@iro.umontreal.ca>, 1996.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+if test $# -eq 0; then
+ echo 1>&2 "Try \`$0 --help' for more information"
+ exit 1
+fi
+
+run=:
+
+case "$1" in
+--run)
+ # Try to run requested program, and just exit if it succeeds.
+ run=
+ shift
+ "$@" && exit 0
+ ;;
+esac
+
+# If it does not exist, or fails to run (possibly an outdated version),
+# try to emulate it.
+case "$1" in
+
+ -h|--h|--he|--hel|--help)
+ echo "\
+$0 [OPTION]... PROGRAM [ARGUMENT]...
+
+Handle \`PROGRAM [ARGUMENT]...' for when PROGRAM is missing, or return an
+error status if there is no known handling for PROGRAM.
+
+Options:
+ -h, --help display this help and exit
+ -v, --version output version information and exit
+ --run try to run the given command, and emulate it if it fails
+
+Supported PROGRAM values:
+ aclocal touch file \`aclocal.m4'
+ autoconf touch file \`configure'
+ autoheader touch file \`config.h.in'
+ automake touch all \`Makefile.in' files
+ bison create \`y.tab.[ch]', if possible, from existing .[ch]
+ flex create \`lex.yy.c', if possible, from existing .c
+ help2man touch the output file
+ lex create \`lex.yy.c', if possible, from existing .c
+ makeinfo touch the output file
+ tar try tar, gnutar, gtar, then tar without non-portable flags
+ yacc create \`y.tab.[ch]', if possible, from existing .[ch]"
+ ;;
+
+ -v|--v|--ve|--ver|--vers|--versi|--versio|--version)
+ echo "missing 0.3 - GNU automake"
+ ;;
+
+ -*)
+ echo 1>&2 "$0: Unknown \`$1' option"
+ echo 1>&2 "Try \`$0 --help' for more information"
+ exit 1
+ ;;
+
+ aclocal)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified \`acinclude.m4' or \`configure.in'. You might want
+ to install the \`Automake' and \`Perl' packages. Grab them from
+ any GNU archive site."
+ touch aclocal.m4
+ ;;
+
+ autoconf)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified \`configure.in'. You might want to install the
+ \`Autoconf' and \`GNU m4' packages. Grab them from any GNU
+ archive site."
+ touch configure
+ ;;
+
+ autoheader)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified \`acconfig.h' or \`configure.in'. You might want
+ to install the \`Autoconf' and \`GNU m4' packages. Grab them
+ from any GNU archive site."
+ files=`sed -n 's/^[ ]*A[CM]_CONFIG_HEADER(\([^)]*\)).*/\1/p' configure.in`
+ test -z "$files" && files="config.h"
+ touch_files=
+ for f in $files; do
+ case "$f" in
+ *:*) touch_files="$touch_files "`echo "$f" |
+ sed -e 's/^[^:]*://' -e 's/:.*//'`;;
+ *) touch_files="$touch_files $f.in";;
+ esac
+ done
+ touch $touch_files
+ ;;
+
+ automake)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified \`Makefile.am', \`acinclude.m4' or \`configure.in'.
+ You might want to install the \`Automake' and \`Perl' packages.
+ Grab them from any GNU archive site."
+ find . -type f -name Makefile.am -print |
+ sed 's/\.am$/.in/' |
+ while read f; do touch "$f"; done
+ ;;
+
+ bison|yacc)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified a \`.y' file. You may need the \`Bison' package
+ in order for those modifications to take effect. You can get
+ \`Bison' from any GNU archive site."
+ rm -f y.tab.c y.tab.h
+ if [ $# -ne 1 ]; then
+ eval LASTARG="\${$#}"
+ case "$LASTARG" in
+ *.y)
+ SRCFILE=`echo "$LASTARG" | sed 's/y$/c/'`
+ if [ -f "$SRCFILE" ]; then
+ cp "$SRCFILE" y.tab.c
+ fi
+ SRCFILE=`echo "$LASTARG" | sed 's/y$/h/'`
+ if [ -f "$SRCFILE" ]; then
+ cp "$SRCFILE" y.tab.h
+ fi
+ ;;
+ esac
+ fi
+ if [ ! -f y.tab.h ]; then
+ echo >y.tab.h
+ fi
+ if [ ! -f y.tab.c ]; then
+ echo 'main() { return 0; }' >y.tab.c
+ fi
+ ;;
+
+ lex|flex)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified a \`.l' file. You may need the \`Flex' package
+ in order for those modifications to take effect. You can get
+ \`Flex' from any GNU archive site."
+ rm -f lex.yy.c
+ if [ $# -ne 1 ]; then
+ eval LASTARG="\${$#}"
+ case "$LASTARG" in
+ *.l)
+ SRCFILE=`echo "$LASTARG" | sed 's/l$/c/'`
+ if [ -f "$SRCFILE" ]; then
+ cp "$SRCFILE" lex.yy.c
+ fi
+ ;;
+ esac
+ fi
+ if [ ! -f lex.yy.c ]; then
+ echo 'main() { return 0; }' >lex.yy.c
+ fi
+ ;;
+
+ help2man)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified a dependency of a manual page. You may need the
+ \`Help2man' package in order for those modifications to take
+ effect. You can get \`Help2man' from any GNU archive site."
+
+ file=`echo "$*" | sed -n 's/.*-o \([^ ]*\).*/\1/p'`
+ if test -z "$file"; then
+ file=`echo "$*" | sed -n 's/.*--output=\([^ ]*\).*/\1/p'`
+ fi
+ if [ -f "$file" ]; then
+ touch $file
+ else
+ test -z "$file" || exec >$file
+ echo ".ab help2man is required to generate this page"
+ exit 1
+ fi
+ ;;
+
+ makeinfo)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified a \`.texi' or \`.texinfo' file, or any other file
+ indirectly affecting the aspect of the manual. The spurious
+ call might also be the consequence of using a buggy \`make' (AIX,
+ DU, IRIX). You might want to install the \`Texinfo' package or
+ the \`GNU make' package. Grab either from any GNU archive site."
+ file=`echo "$*" | sed -n 's/.*-o \([^ ]*\).*/\1/p'`
+ if test -z "$file"; then
+ file=`echo "$*" | sed 's/.* \([^ ]*\) *$/\1/'`
+ file=`sed -n '/^@setfilename/ { s/.* \([^ ]*\) *$/\1/; p; q; }' $file`
+ fi
+ touch $file
+ ;;
+
+ tar)
+ shift
+ if test -n "$run"; then
+ echo 1>&2 "ERROR: \`tar' requires --run"
+ exit 1
+ fi
+
+ # We have already tried tar in the generic part.
+ # Look for gnutar/gtar before invocation to avoid ugly error
+ # messages.
+ if (gnutar --version > /dev/null 2>&1); then
+ gnutar ${1+"$@"} && exit 0
+ fi
+ if (gtar --version > /dev/null 2>&1); then
+ gtar ${1+"$@"} && exit 0
+ fi
+ firstarg="$1"
+ if shift; then
+ case "$firstarg" in
+ *o*)
+ firstarg=`echo "$firstarg" | sed s/o//`
+ tar "$firstarg" ${1+"$@"} && exit 0
+ ;;
+ esac
+ case "$firstarg" in
+ *h*)
+ firstarg=`echo "$firstarg" | sed s/h//`
+ tar "$firstarg" ${1+"$@"} && exit 0
+ ;;
+ esac
+ fi
+
+ echo 1>&2 "\
+WARNING: I can't seem to be able to run \`tar' with the given arguments.
+ You may want to install GNU tar or Free paxutils, or check the
+ command line arguments."
+ exit 1
+ ;;
+
+ *)
+ echo 1>&2 "\
+WARNING: \`$1' is needed, and you do not seem to have it handy on your
+ system. You might have modified some files without having the
+ proper tools for further handling them. Check the \`README' file,
+ it often tells you about the needed prerequirements for installing
+ this package. You may also peek at any GNU archive site, in case
+ some other package would contain this missing \`$1' program."
+ exit 1
+ ;;
+esac
+
+exit 0
--- /dev/null
+#! /bin/sh
+# mkinstalldirs --- make directory hierarchy
+# Author: Noah Friedman <friedman@prep.ai.mit.edu>
+# Created: 1993-05-16
+# Public domain
+
+# $Id$
+
+errstatus=0
+
+for file
+do
+ set fnord `echo ":$file" | sed -ne 's/^:\//#/;s/^://;s/\// /g;s/^#/\//;p'`
+ shift
+
+ pathcomp=
+ for d
+ do
+ pathcomp="$pathcomp$d"
+ case "$pathcomp" in
+ -* ) pathcomp=./$pathcomp ;;
+ esac
+
+ if test ! -d "$pathcomp"; then
+ echo "mkdir $pathcomp"
+
+ mkdir "$pathcomp" || lasterr=$?
+
+ if test ! -d "$pathcomp"; then
+ errstatus=$lasterr
+ fi
+ fi
+
+ pathcomp="$pathcomp/"
+ done
+done
+
+exit $errstatus
+
+# mkinstalldirs ends here
--- /dev/null
+#######################################################################
+# Process this file wth autoconf to produce a configure script.
+#######################################################################
+AC_INIT(src/gmxlib/3dview.c)
+AC_CONFIG_AUX_DIR(./config)
+AM_INIT_AUTOMAKE(gromacs, 3.0b)
+AC_PREFIX_DEFAULT(/usr/local/gromacs)
+AM_CONFIG_HEADER(src/include/config.h)
+
+#######################################################################
+# User options
+#######################################################################
+
+#####
+
+AC_ARG_ENABLE(mpi,
+ [ --enable-mpi Compile parallel version of Gromacs],
+ enable_mpi=$enableval, enable_mpi=no)
+
+
+#####
+
+AC_ARG_ENABLE(vector,
+ [ --enable-vector Compile for a vector machine],
+ enable_vector=$enableval, enable_vector=no)
+
+
+#####
+
+AC_ARG_ENABLE(fortran,
+ [ --enable-fortran Dortran loops (default on sgi,ibm,sun,tru64/dec)],
+ enable_fortran=$enableval,enable_fortran=check)
+
+
+#####
+
+AC_ARG_ENABLE(double,
+ [ --enable-double Compile double precision Gromacs],
+ enable_double=$enableval, enable_double=no)
+
+
+#####
+
+AC_ARG_ENABLE(type-suffix,
+ [ --disable-type-suffix Remove the suffix on MPI or double precision files],
+ enable_type_suffix=$enableval, enable_type_suffix=yes)
+
+
+#####
+
+AC_ARG_ENABLE(simplewater,
+ [ --enable-simplewater Unroll water innerloops (default on sgi)],
+ enable_simplewater=$enableval, enable_simplewater=check)
+
+
+#####
+AC_ARG_ENABLE(waterwater-loops,
+ [ --disable-waterwater-loops No special water-water loops (default on sgi)],
+ enable_waterwater_loops=$enableval, enable_waterwater_loops=check)
+
+
+#####
+
+AC_ARG_ENABLE(nice,
+ [ --disable-nice Disable the nice priority on mdrun],
+ enable_nice=$enableval, enable_nice=yes)
+
+
+#####
+
+AC_ARG_ENABLE(sse,
+ [ --disable-sse Disable SSE assembly loops on x86],
+ enable_sse=$enableval, enable_sse=yes)
+
+
+#####
+
+AC_ARG_ENABLE(3dnow,
+ [ --disable-3dnow Disable 3DNow assembly loops on x86],
+ enable_3dnow=$enableval, enable_3dnow=yes)
+
+
+#####
+
+AC_ARG_ENABLE(xdr,
+ [ --disable-xdr Disable portable trajectory routines],
+ enable_xdr=$enableval, enable_xdr=yes)
+
+
+#####
+
+AC_ARG_ENABLE(cpu-detection,
+ [ --disable-cpu-detection Don't extend detection with exact cpu type],
+ enable_cpu_detection=$enableval, enable_cpu_detection=yes)
+
+
+#####
+
+AC_ARG_ENABLE(softwarerecip,
+[ --enable-softwarerecip Do software 1/x (might be slower)],
+ enable_softwarerecip=$enableval, enable_softwarerecip=no)
+
+
+#####
+
+AC_ARG_ENABLE(softwaresqrt,
+[ --disable-softwaresqrt No software 1/sqrt (default on sgi,rs6000)],
+ enable_softwaresqrt=$enableval, enable_softwaresqrt=check)
+
+
+#####
+
+AC_ARG_ENABLE(vectorized_recip,
+ [ --enable-vectorized-recip Vectorize the reciprocal in LJ-only loops],
+ enable_vectorized_recip=$enableval, enable_vectorized_recip=no)
+
+
+#####
+
+AC_ARG_ENABLE(vectorized_sqrt,
+ [ --enable-vectorized-sqrt=A,B Loops to vectorize, default none.
+ Choices: normal,solvent,water,water-water],
+ enable_vectorized_sqrt=$enableval, enable_vectorized_sqrt=no)
+
+
+#####
+AC_ARG_ENABLE(prefetch_x,
+ [ --enable-prefetch-x=A,B Prefetch coordinates in selected innerloops],
+ enable_prefetch_x=$enableval, enable_prefetch_x=no)
+
+
+#####
+AC_ARG_ENABLE(prefetch_f,
+ [ --enable-prefetch-f=A,B Prefetch forces in selected innerloops],
+ enable_prefetch_f=$enableval, enable_prefetch_f=no)
+
+
+#####
+AC_ARG_ENABLE(hide_square_latency,
+ [ --enable-hide-square-latency Try to get coords to cache before using them],
+ enable_hide_square_latency=$enableval, enable_hide_square_latency=no)
+
+
+#####
+AC_ARG_ENABLE(hide_table_latency,
+ [ --enable-hide-table-latency Try to get table data to cache before using it],
+ enable_hide_table_latency=$enableval, enable_hide_table_latency=no)
+
+
+#####
+
+AC_ARG_WITH(mpi-environment,
+ [ --with-mpi-environment=VAR Only start MPI mdrun when VAR is set],
+ with_mpi_environment=$enableval, with_mpi_environment=no)
+
+
+########################################################################
+# Process the options
+########################################################################
+
+AC_CANONICAL_HOST
+
+case "${host_cpu}" in
+ i?86)
+ x86=yes
+ ;;
+ *)
+ x86=false
+ ;;
+esac
+
+if test "$enable_fortran" = "check"; then
+case "${host_cpu}-${host_os}" in
+
+ sparc*-solaris* | alpha*-osf* | rs6000*-aix* | mips*-irix*)
+ enable_fortran=yes
+ ;;
+
+ *)
+ enable_fortran=no
+ ;;
+ esac
+fi
+
+if test "$enable_simplewater" = "check"; then
+case "${host_cpu}-${host_os}" in
+
+ mips*-irix*)
+ enable_simplewater=yes
+ ;;
+
+ *)
+ enable_simplewater=no
+ ;;
+esac
+fi
+
+if test "$enable_waterwater_loops" = "check"; then
+case "${host_cpu}-${host_os}" in
+
+ mips*-irix*)
+ enable_waterwater_loops=no
+ ;;
+
+ *)
+ enable_waterwater_loops=yes
+ ;;
+esac
+fi
+
+if test "$enable_softwaresqrt" = "check"; then
+case "${host_cpu}-${host_os}" in
+
+ mips*-irix* | rs6000*-aix*)
+ enable_softwaresqrt=no
+ ;;
+
+ *)
+ enable_softwaresqrt=yes
+ ;;
+esac
+fi
+
+case "${host_cpu}" in
+ alpha*)
+ AC_DEFINE(USE_AXP_ASM,,[Include Alpha AXP assembly for vectorized sqrt/invsqrt])
+ ;;
+ *)
+ ;;
+esac
+
+if test "$enable_fortran" = "yes"; then
+ # vendor f77 before g77
+ AC_CHECK_PROGS(F77, f77 xlf xlf77 cf77 fl32 g77 fort77 f90 xlf90 pgf77 cf77 fort fort77 pgf90)
+ AC_PROG_F77
+ if test -z "$F77"; then
+ AC_MSG_ERROR([No fortran compiler found])
+ fi
+fi
+
+# Checks for programs.
+AC_PROG_MAKE_SET
+
+AC_CHECK_PROG(CC, cc, cc) # do vendor cc before gcc
+AC_PROG_CC
+BUILD_CC=$CC
+AC_SUBST(BUILD_CC)
+
+if test "$enable_fortran" = "yes"; then
+ AC_F77_LIBRARY_LDFLAGS
+ ACX_F77_NAME_MANGLING
+fi
+
+# if we are using mpi, also get an MPICC. We cannot set that in the PROG_CC macro
+# above, since the autoconf checks that the created file can be executed. This would
+# fail on platforms where MPI executables can only be run through a batchqueue.
+
+if test "$enable_mpi" = "yes"; then
+ AC_CHECK_PROGS(MPICC, mpicc mpcc mpxlf hcc, $CC)
+# now change the normal cc to the MPI one - see the comment above.
+ CC=$MPICC
+ AC_MSG_CHECKING([whether the MPI cc command works]) # be paranoid
+ AC_TRY_LINK([#include <mpi.h>],[int argc; char **argv; MPI_Init(&argc,&argv);],
+ AC_MSG_RESULT([yes]),
+ AC_MSG_ERROR([Cannot compile and link MPI code with $CC]))
+ AM_CONDITIONAL(USE_MPI,true)
+else
+ AM_CONDITIONAL(USE_MPI,false)
+fi
+
+AC_PROG_INSTALL
+AC_PROG_CPP
+
+# A rather complicated check for the nasm program and x86 assembly capabilities
+# to run under windows we must insert a test a change nasm "-f elf" to "-f win32"
+if test "$x86" = "yes"; then
+ if [ test "$enable_sse" = "yes" -o "$enable_3dnow" = "yes"]; then
+ if test "$enable_double" = "yes"; then
+ AC_MSG_WARN([SSE/3Dnow assembly can only be used in single precision])
+ enable_sse=no
+ enable_3dnow=no
+ else
+ AC_PATH_PROG(NASM,nasm,no)
+ NASMFLAGS="-f elf"
+ AC_SUBST(NASMFLAGS)
+ if test "$NASM" = "no"; then
+ AC_MSG_ERROR([Nasm is required for SSE and 3DNow loops.])
+ fi
+ if test "$enable_sse" = "yes"; then
+ AC_MSG_CHECKING([whether nasm supports SSE instructions])
+cat > conftest_sse.s << EOF
+ global checksse
+checksse:
+ emms
+ xorps xmm0,xmm0
+ emms
+ ret
+EOF
+ if AC_TRY_COMMAND($NASM conftest_sse.s); then
+ AC_MSG_RESULT([yes])
+ else
+ AC_MSG_RESULT([no])
+ AC_MSG_ERROR([Download a patched nasm from the Gromacs homepage,]
+ [or disable SSE assembly.])
+ fi
+ fi
+ if test "$enable_3dnow" = "yes"; then
+ AC_MSG_CHECKING([whether nasm supports extended 3DNow instructions])
+cat > conftest_3dnow.s << EOF
+ global check3dnow
+check3dnow:
+ femms
+ pswapd mm0,mm0
+ femms
+ ret
+EOF
+ if AC_TRY_COMMAND([$NASM -f elf conftest_3dnow.s]); then
+ AC_MSG_RESULT([yes])
+ else
+ AC_MSG_RESULT([no])
+ AC_MSG_ERROR([Download a patched nasm from the Gromacs homepage,]
+ [or disable 3DNow assembly.])
+ fi
+ fi
+ fi
+ fi
+else # not x86
+enable_sse=no
+enable_3dnow=no
+fi
+
+AC_PATH_PROG(IDENT,ident,no)
+if test "$IDENT" != "no"; then
+ AC_DEFINE(HAVE_IDENT,,[Does this machine have the ident command])
+fi
+
+AC_PROG_RANLIB
+AC_CHECK_FUNCS(strcasecmp)
+AC_CHECK_FUNCS(strdup)
+
+# Try to detect the cpu - must be done before some lib searches
+if test "$enable_cpu_detection" = "yes"; then
+ ACX_DETECT_GMXCPU
+else
+ gmxcpu=""
+fi
+
+############################################################################
+# Checks for libraries.
+############################################################################
+#####
+# IBM provides a MASS library with vectorized and optimized math stuff,
+# and an xlopt library which partly overlaps this. They must come before
+# libm in the link list.
+if test "${host_vendor}" = "ibm"; then
+ vectmass=no
+ case "$gmxcpu" in
+ power4*)
+ AC_CHECK_LIB(massvp4,main,vectmass=yes) ;;
+ power3*)
+ AC_CHECK_LIB(massvp3,main,vectmass=yes) ;;
+ power2*)
+ AC_CHECK_LIB(massvp3,main,vectmass=yes) ;;
+ *)
+ AC_CHECK_LIB(massv,main,vectmass=yes) ;;
+ esac
+ AC_CHECK_LIB(mass,main)
+ if test "$vectmass" = "yes"; then
+ AC_DEFINE(USE_IBM_MASS,,[Use the vectorized routines in IBM MASS library])
+ fi
+AC_CHECK_LIB(xlopt,main)
+fi
+
+AC_CHECK_LIB(m,sqrt,,AC_MSG_ERROR([No math library found]))
+
+if test "$enable_double" = "yes"; then
+ precision=8
+else
+ precision=4
+fi
+
+if test "$enable_mpi" = "yes"; then
+ ACX_CHECK_FFTW(fftw_mpi,$precision)
+ ACX_CHECK_FFTW(rfftw_mpi,$precision)
+fi
+
+ACX_CHECK_FFTW(fftw,$precision)
+ACX_CHECK_FFTW(rfftw,$precision)
+
+case ${ac_fftw_savedprefix} in
+ d)
+ AC_DEFINE(FFTW_NAME_DFFTW,,[Use the d prefix on fftw includes])
+ ;;
+ s)
+ AC_DEFINE(FFTW_NAME_SFFTW,,[Use the s prefix on fftw includes])
+ ;;
+ *)
+ AC_DEFINE(FFTW_NAME_FFTW,,[Dont use any prefixing on fftw includes])
+ ;;
+esac
+
+######
+if test "$enable_xdr" = "no"; then
+ AC_MSG_WARN([* Not using XDR cripples Gromacs significantly. You won't be able to *]
+ [* read or write any hardware independent or compressed trajectories. *]
+ [* We strongly suggest you try to locate the RPC routines instead! *])
+else
+# check for xtc headers
+ AC_CHECK_HEADERS(rpc/rpc.h rpc/xdr.h,,AC_MSG_ERROR([RPC/XDR include headers not found]))
+# check for xtc libs
+# on solaris the xdr stuff is in -lnsl
+ AC_CHECK_LIB(nsl,xdr_float)
+ AC_TRY_LINK(
+[#include<rpc/rpc.h>
+ #include<rpc/xdr.h>],
+ [ XDR *xd; float f; xdr_float(xd,&f);],,AC_MSG_ERROR([RPC/XDR libraries not found]))
+AM_CONDITIONAL(GMX_USE_XDR,true)
+fi
+
+#####
+# Look for X
+AC_PATH_XTRA
+
+# try to find motif headers and libraries
+AC_FIND_MOTIF
+if [test "$motif_includes" = "none" -a "$motif_libraries" != "none"]; then
+ AC_MSG_WARN([ In addition to Motif/Lesstif libraries we also need includes. Disabling.])
+ motif_include=none
+fi
+
+if test "$motif_includes" != "none"; then
+ use_motif="yes"
+else
+ use_motif="no"
+fi
+
+#####
+# Checks for header files.
+
+AC_CHECK_HEADERS([limits.h malloc.h strings.h unistd.h],,AC_MSG_ERROR([Include headers not found]))
+
+#####
+# Checks for typedefs, structures, and compiler characteristics.
+AC_C_CONST
+AC_TYPE_SIZE_T
+AC_STRUCT_TM
+AC_TYPE_UID_T
+AC_C_INLINE
+
+#####
+# Checks for library functions.
+#AC_FUNC_MALLOC
+AC_FUNC_MEMCMP
+AC_TYPE_SIGNAL
+AC_FUNC_VPRINTF
+
+#####
+# Collect the libraries and includes for X and/or motif
+if test "$no_x" != "yes"; then
+ LIBS="$X_LIBS $LIBS $X_PRE_LIBS -lX11 $X_EXTRA_LIBS"
+ INCLUDES="$INCLUDES $X_CFLAGS $MOTIF_CFLAGS"
+ AM_CONDITIONAL(USE_X11,true)
+ use_x11="yes"
+else
+ use_x11="no"
+fi
+
+####
+# And collect the f77 libs to the linker - at least on Solaris, f77 stuff must go first
+LIBS="$FLIBS $LIBS"
+
+########################################################################
+# Substitute things in output and header files.
+########################################################################
+SUFFIX=""
+
+if test "$enable_mpi" = "yes"; then
+ AC_DEFINE(USE_MPI,,[Make a parallel version of Gromacs using MPI])
+ PAR_OBJ='${mpi_obj}'
+ if test "$enable_type_suffix" = "yes"; then
+ SUFFIX="_mpi"
+ fi
+else
+ PAR_OBJ='${libnet_obj}'
+fi
+
+if test "$enable_vector" = "yes"; then
+ AC_DEFINE(USE_VECTOR,,[Optimize for a vector architecture])
+fi
+
+if test "$enable_fortran" = "yes"; then
+ AC_DEFINE(USE_FORTRAN,,[Use Fortran for innerloops and some other core stuff])
+ INNER_F77_OBJ='${inner_f77_obj}'
+else
+ INNER_C_OBJ='${inner_c_obj}'
+fi
+
+if test "$enable_double" = "yes"; then
+ AC_DEFINE(DOUBLE,,[Compile in double precision])
+ if test "$enable_type_suffix" = "yes"; then
+ SUFFIX="${SUFFIX}_d"
+ fi
+ AM_CONDITIONAL(USE_DOUBLE,true)
+else
+ AM_CONDITIONAL(USE_DOUBLE,false)
+fi
+
+if test "$enable_simplewater" = "yes"; then
+ AC_DEFINE(SIMPLEWATER,,[Expand the water loops to three inner loops])
+fi
+
+if test "$enable_waterwater_loops" = "no"; then
+ AC_DEFINE(DISABLE_WATERWATER_LOOPS,,[Don't use special loops for all-water interactions])
+fi
+
+if test "$enable_nice" = "no"; then
+ AC_DEFINE(NO_NICE,,[Turn off the automatic nicing of gromacs])
+fi
+
+if test "$enable_sse" = "yes"; then
+ AC_DEFINE(USE_SSE,,[Use x86 assembly with SSE instructions])
+ SSE_OBJ='${sse_obj}'
+fi
+
+if test "$enable_3dnow" = "yes"; then
+ AC_DEFINE(USE_3DNOW,,[Use x86 assembly with 3DNow instructions])
+ TDN_OBJ='${tdn_obj}'
+fi
+
+if [test "$enable_sse" = "yes" -o "$enable_3dnow" = "yes"]; then
+ X86_ASM_OBJ='${x86_asm_obj}'
+fi
+
+if [test "$motif_includes" != "none" -a "$motif_libraries" != "none"]; then
+ MOTIF_OBJ='${motif_obj}'
+fi
+
+if test "$enable_xdr" = "yes"; then
+ AC_DEFINE(USE_XDR,,[Use xdr routines to make trajectories portable])
+ XDR_OBJ='${xdr_obj}'
+else
+ XDR_OBJ='${noxdr_obj}'
+fi
+
+if test "$enable_softwaresqrt" = "yes"; then
+ AC_DEFINE(SOFTWARE_SQRT,,[Use the Gromacs software 1/sqrt(x)])
+fi
+
+if test "$enable_softwarerecip" = "yes"; then
+ AC_DEFINE(SOFTWARE_RECIP,,[Use the Gromacs software 1/x])
+fi
+
+if test "$enable_hide_square_latency" = "yes"; then
+ AC_DEFINE(DECREASE_SQUARE_LATENCY,,[Try to get coordinates to cache before using them])
+fi
+
+if test "$enable_hide_table_latency" = "yes"; then
+ AC_DEFINE(DECREASE_LOOKUP_LATENCY,,[Try to get table data to cache before using it])
+fi
+
+if test "$with_mpi_environment" != "no" -a "$enable_mpi" = "yes"; then
+ AC_DEFINE(CHECK_MPI_ENV,"$with_mpi_environment",
+ [If defined, only start MPI runs when this variable is set])
+fi
+
+
+list_of_vectorized_sqrt=""
+if test "$enable_vectorized_sqrt" != "no"; then
+ if test "$enable_vectorized_sqrt" = "yes"; then
+ enable_vectorized_sqrt="normal,solvent,water,water-water"
+ fi
+ if echo $enable_vectorized_sqrt | grep "normal" >/dev/null; then
+ list_of_vectorized_sqrt="normal "
+ AC_DEFINE(VECTORIZE_INVSQRT,,[Vectorize 1/sqrt(x) in normal loops])
+ fi
+ if echo $enable_vectorized_sqrt | grep "solvent" >/dev/null; then
+ list_of_vectorized_sqrt="${list_of_vectorized_sqrt}solvent "
+ AC_DEFINE(VECTORIZE_INVSQRT_S,,[Vectorize 1/sqrt(x) in solvent loops])
+ fi
+ if echo $enable_vectorized_sqrt | sed 's/water-water//' | grep "water" >/dev/null; then
+ list_of_vectorized_sqrt="${list_of_vectorized_sqrt}water "
+ AC_DEFINE(VECTORIZE_INVSQRT_W,,[Vectorize 1/sqrt(x) in water loops])
+ fi
+ if echo $enable_vectorized_sqrt | grep "water-water" >/dev/null; then
+ list_of_vectorized_sqrt="${list_of_vectorized_sqrt}water-water "
+ AC_DEFINE(VECTORIZE_INVSQRT_WW,,[Vectorize 1/sqrt(x) in water-water loops])
+ fi
+fi
+if test -z "$list_of_vectorized_sqrt"; then
+ list_of_vectorized_sqrt="no"
+fi
+
+
+list_of_prefetch_x=""
+if test "$enable_prefetch_x" != "no"; then
+ if test "$enable_prefetch_x" = "yes"; then
+ enable_prefetch_x="normal,solvent,water,water-water"
+ fi
+ if echo $enable_prefetch_x | grep "normal" >/dev/null; then
+ list_of_prefetch_x="normal "
+ AC_DEFINE(PREFETCH_X,,[Prefetch coordinates in normal loops])
+ fi
+ if echo $enable_prefetch_x | grep "solvent" >/dev/null; then
+ list_of_prefetch_x="${list_of_prefetch_x}solvent "
+ AC_DEFINE(PREFETCH_X_S,,[Prefetch coordinates in solvent loops])
+ fi
+ if echo $enable_prefetch_x | sed 's/water-water//' | grep "water" >/dev/null; then
+ list_of_prefetch_x="${list_of_prefetch_x}water "
+ AC_DEFINE(PREFETCH_X_W,,[Prefetch coordinates in water loops])
+ fi
+ if echo $enable_prefetch_x | grep "water-water" >/dev/null; then
+ list_of_prefetch_x="${list_of_prefetch_x}water-water "
+ AC_DEFINE(PREFETCH_X_WW,,[Prefetch coordinates in water-water loops])
+ fi
+fi
+if test -z "$list_of_prefetch_x"; then
+ list_of_prefetch_x="no"
+fi
+
+list_of_prefetch_f=""
+if test "$enable_prefetch_f" != "no"; then
+ if test "$enable_prefetch_f" = "yes"; then
+ enable_prefetch_f="normal,solvent,water,water-water"
+ fi
+ if echo $enable_prefetch_f | grep "normal" >/dev/null; then
+ list_of_prefetch_f="normal "
+ AC_DEFINE(PREFETCH_F,,[Prefetch coordinates in normal loops])
+ fi
+ if echo $enable_prefetch_f | grep "solvent" >/dev/null; then
+ list_of_prefetch_f="${list_of_prefetch_f}solvent "
+ AC_DEFINE(PREFETCH_F_S,,[Prefetch coordinates in solvent loops])
+ fi
+ if echo $enable_prefetch_f | sed 's/water-water//' | grep "water"; then
+ list_of_prefetch_f="${list_of_prefetch_f}water "
+ AC_DEFINE(PREFETCH_F_W,,[Prefetch coordinates in water loops])
+ fi
+ if echo $enable_prefetch_f | grep "water-water" >/dev/null; then
+ list_of_prefetch_f="${list_of_prefetch_f}water-water "
+ AC_DEFINE(PREFETCH_F_WW,,[Prefetch coordinates in water-water loops])
+ fi
+fi
+if test -z "$list_of_prefetch_f"; then
+ list_of_prefetch_f="no"
+fi
+
+if test "$enable_vectorized_recip" != "yes" -a "$enable_vectorized_recip" != "no"; then
+ AC_MSG_ERROR([Vectorized reciprocal is only meaningful for normal loops])
+fi
+
+if test "$enable_vectorized_recip" = "yes"; then
+ AC_DEFINE(VECTORIZE_RECIP,,[Vectorize the reciprocal calculation])
+fi
+
+AC_DEFINE_UNQUOTED(GMXLIBDIR,"${ac_default_prefix}/top",[Default topology file location])
+
+AC_SUBST(PAR_OBJ)
+AC_SUBST(INNER_F77_OBJ)
+AC_SUBST(INNER_C_OBJ)
+AC_SUBST(SSE_OBJ)
+AC_SUBST(TDN_OBJ)
+AC_SUBST(X86_ASM_OBJ)
+AC_SUBST(MOTIF_OBJ)
+AC_SUBST(XDR_OBJ)
+AC_SUBST(AXP_ASM_OBJ) # not used right now
+ACX_SUBST_XXX(SUFFIX)
+AC_SUBST(SUFFIX)
+
+# Check if there are any optimizations and options for this arch and cpu
+ACX_COMPILER_MAXOPT
+AC_SUBST(INCLUDES) # should be automatic, but doesnt seem to be?
+
+# put binaries and libraries in subdirectories named as the arch
+if test -n "$gmxcpu"; then
+ bindir="\${exec_prefix}/bin/${host}/${gmxcpu}"
+ libdir="\${exec_prefix}/lib/${host}/${gmxcpu}"
+else
+ bindir="\${exec_prefix}/bin/${host}"
+ libdir="\${exec_prefix}/lib/${host}"
+fi
+
+AC_SUBST(bindir)
+AC_SUBST(libdir)
+
+
+AC_OUTPUT([Makefile
+ src/Makefile
+ src/gmxlib/Makefile
+ src/mdlib/Makefile
+ src/kernel/Makefile
+ src/tools/Makefile
+ src/ngmx/Makefile
+ src/include/Makefile
+ src/include/types/Makefile
+ tutor/Makefile
+ tutor/gmxdemo/Makefile
+ tutor/nmr1/Makefile
+ tutor/nmr2/Makefile
+ tutor/water/Makefile
+ tutor/speptide/Makefile
+ tutor/template/Makefile
+ tutor/template/Template.mak
+ top/Makefile
+ html/Makefile
+ html/gif/Makefile
+ html/online/Makefile])
+
+echo ""
+echo "Gromacs is ready to compile. Summary of options used:"
+echo "Architecture : $host"
+if test "$enable_cpu_detection" = "yes"; then
+if test -n "$gmxcpu"; then
+echo "Optimize for CPU : $gmxcpu"
+else
+echo "(Extra CPU detection not necessary or unavailable on this host)"
+fi
+fi
+echo "MPI parallelization : $enable_mpi"
+if test "$enable_mpi" = "yes"; then
+echo "Checking MPI environment : $with_mpi_environment"
+fi
+echo "Vector architecture : $enable_vector"
+echo "Using Fortran code : $enable_fortran"
+echo "Double precision : $enable_double"
+if test "$enable_double" = "yes" -o "$enable_mpi" = "yes"; then
+echo "Type suffix on files : $enable_type_suffix"
+fi
+echo "Expanding water loops : $enable_simplewater"
+echo "Using water-water loops : $enable_waterwater_loops"
+echo "Automatically nice mdrun : $enable_nice"
+echo "Using x86 SSE assembly : $enable_sse"
+echo "Using x86 3DNow assembly : $enable_3dnow"
+echo "Portable trajectories (xdr) : $enable_xdr"
+echo "Software 1/x : $enable_softwarerecip"
+echo "Software 1/sqrt(x) : $enable_softwaresqrt"
+echo "Vectorize 1/x : $enable_vectorized_recip"
+echo "Vectorize 1/sqrt(x) : $list_of_vectorized_sqrt"
+echo "Prefetch coordinates in loops : $list_of_prefetch_x"
+echo "Prefetch forces in loops : $list_of_prefetch_f"
+echo "Hide square latency : $enable_hide_square_latency"
+echo "Hide table lookup latency : $enable_hide_table_latency"
+echo "Using X11 : $use_x11"
+echo "Motif support : $use_motif"
+echo ""
+++ /dev/null
-#!/bin/csh -f
-
-if ( $?cwd ) then
- setenv CUR $cwd
-else
- setenv CUR `pwd`
-endif
-setenv CORE gmxcore
-setenv BNC gmxbench
-setenv TST gmxtests
-
-clear
-if ( -d src ) then
- echo 'Source already present'
- echo 'Will only configure GMXRC'
-else
- echo 'Starting GROMACS installation'
- echo '-----------------------------'
-
- echo 'Unpacking archives...'
-
- foreach fz ( $CORE $BNC $TST )
- echo $fz
- if ( -f $fz.taz ) then
- cat $fz.taz | uncompress -c | tar xf -
- else
- if ( -f $fz.tgz ) then
- cat $fz.tgz | gzip -d -c | tar xf -
- else
- if ( $fz == $CORE ) then
- echo FATAL, no file $fz.tgz or $fz.taz found
- exit
- endif
- endif
- endif
- end
-endif
-
-echo ""
-
-# Determine which CPUS are available
-setenv CPUS ""
-set ncpu = 0
-foreach i ( src/makef/Makefile.* )
- setenv EXT $i:e
- if ( ( $EXT != SGI ) && ( $EXT != def ) && ( $EXT != std ) && ( $EXT != no ) && ( $EXT != ruggr2 ) && ( $EXT != ins ) && ( $EXT != ind) ) then
- setenv CPUS "$CPUS"" ""$EXT"
- @ ncpu += 1
- endif
-end
-
-echo ' Which CPU/Machine do you have ?'
-echo '--------------------------------------------------------------------'
-set i = 0
-foreach cpu ( $CPUS )
- set desc=`head -1 src/makef/Makefile.$cpu`
- if ( "$desc" == "#" ) then
- set desc="# Unknown"
- endif
- printf "%5s - %-26s" $cpu "$desc"
- if ( $i == 0 ) then
- set i = 1
- else
- printf "\n"
- set i = 0
- endif
-end
-echo ""
-
-setenv MKPREFIX src/makef/Makefile
-
-echo 'Please select the cpu that is appropriate'
-set cpu = $<
-if ( -f $MKPREFIX.$cpu ) then
- echo $cpu is OK
- set cpmf = 0
-else
- echo 'Give a short abbreviation for your CPU/Machine, eg. ibm'
- set cpu = $<
- set cpmf = 1
-endif
-
-if ( $cpmf == 1 ) then
- cp $MKPREFIX.no $MKPREFIX.$cpu
- echo 'I have created a file called ' $MKPREFIX.$cpu
- echo 'Please follow the instructions in the online readme.hmtl file'
-endif
-
-echo ' '
-echo 'GROMACS Cool Quote Installation'
-echo '-------------------------------'
-echo 'If you do *NOT* want cool quotes type No here'
-set cq = $<
-if ( $cq != No ) then
- setenv COOL setenv
-else
- setenv COOL \#setenv
- echo 'Now you will be treated like a fast food addict'
-endif
-
-setenv RC GMXRC
-echo Creating $RC file
-if ( -f $RC ) mv $RC $RC.bak
-
-setenv PATHPREFIX `pwd`
-cat > $RC << EOD
-#
-# Directories, edit to match your site, we assume
-# users have a c-shell allways
-#
-
-# remove previous GROMACS environment, if present
-source $PATHPREFIX/NOGMX -quiet
-
-# This is were the sources are
-setenv GMXHOME $PATHPREFIX
-
-#
-# If you support multiple machines then it's useful to
-# have a switch statement here, which, depending on hostname
-# point to the proper directories, and sets the GMXCPU variable
-#
-# For easy updating, it is also recommended to put you local
-# stuff in the GMXRC.local file
-# Don't forget the GMXCPU variable
-#
-setenv LOCAL_RC \$GMXHOME/GMXRC.local
-if ( -f \$LOCAL_RC ) then
- source \$LOCAL_RC
-else
-# Here are some defaults, if you have one machine, edit these
- setenv GMXCPU $cpu
-endif
-
-# Some directories that live below the root
-setenv GMXBIN \$GMXHOME/bin/\$GMXCPU
-setenv GMXLIB \$GMXHOME/top
-
-#
-# Default Graphics Font
-#
-setenv GMXFONT 10x20
-
-#
-# Set the path #
-setenv PATH "\$PATH":"\$GMXBIN"
-#
-
-if ( \$?LD_LIBRARY_PATH ) then
- setenv LD_LIBRARY_PATH "\$LD_LIBRARY_PATH":\$GMXHOME/lib/\$GMXCPU
-else
- setenv LD_LIBRARY_PATH \$GMXHOME/lib/\$GMXCPU
-endif
-if ( \$?MANPATH ) then
- setenv MANPATH "\$MANPATH":\$GMXHOME/man
-else
- setenv MANPATH /usr/man:\$GMXHOME/man
-endif
-
-# Now finally, if you consider our Cool Quotes to be offensive
-# you might consider commenting out the following line:
-$COOL IAMCOOL YES
-
-if ( -f \$GMXHOME/complete ) source \$GMXHOME/complete
-
-# end of script
-EOD
-
-echo 'Done, it is compile time now.'
-echo 'Source GMXRC and read instructions in'
-echo 'http://md.chem.rug.nl/~gmx/readme2.0.html'
#define _3dview_h
static char *SRCID_3dview_h = "$Id$";
-
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
#define WW 3
typedef real vec4[4];
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+SUBDIRS = . types
+
+include_HEADERS = \
+ 3dview.h do_md.h invblock.h nrjac.h \
+ rwtop.h tpxio.h assert.h do_nm.h \
+ javaio.h nrnb.h sheader.h transfer.h \
+ atomprop.h dummies.h list.h ns.h \
+ shift.h trnio.h axp_asm.h ebin.h \
+ macros.h nsb.h shift_util.h txtdump.h \
+ binio.h edsam.h magic.h nsgrid.h \
+ sim_util.h typedefs.h block_tx.h enxio.h \
+ main.h pbc.h smalloc.h update.h \
+ bondf.h ewald.h maths.h pdbio.h \
+ sortwater.h utils.h buffer.h ewald_util.h \
+ matio.h pdebug.h split.h vcm.h \
+ calcgrid.h fatal.h mdatoms.h physics.h \
+ vec.h calch.h ffscanf.h mdebin.h \
+ pme.h statusio.h viewit.h calcmu.h \
+ fftgrid.h mdrun.h pppm.h statutil.h \
+ vveclib.h callf77.h fftw_wrapper.h memdump.h \
+ princ.h steep.h wgms.h cm5io.h \
+ filenm.h memtab.h pull.h strdb.h \
+ wman.h comlib.h force.h memtest.h \
+ pvmio.h string2.h writeps.h complex.h \
+ futil.h metacode.h random.h struc2.h \
+ x86_3dnow.h comtest.h gbutil.h mpiio.h \
+ rbin.h superb.h x86_cpu.h config.h \
+ general.h mshift.h rdgroup.h symtab.h \
+ x86_sse.h confio.h gmxfio.h mvdata.h \
+ rdklib.h sync.h xdrf.h constr.h \
+ grompp.h names.h readcomp.h synclib.h \
+ xtcio.h copyrite.h gstat.h network.h \
+ readinp.h sysstuff.h xvgr.h delay.h \
+ index.h nhash.h renum.h systest.h \
+ disre.h init.h nr.h reorder.h \
+ tags.h do_fit.h inout.h nrama.h \
+ rmpbc.h tgroup.h
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Good ROcking Metal Altar for Chronical Sinners
- */
-static char *SRCID_TOMS_transpose_h = "$Id$";
-
-#ifndef TOMS_TRANSPOSE_H
-#define TOMS_TRANSPOSE_H
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-#include <fftw_mpi.h>
-
-typedef TRANSPOSE_EL_TYPE TOMS_el_type;
-
-short TOMS_transpose_2d(TOMS_el_type * a,
- int nx, int ny,
- char *move,
- int move_size);
-
-short TOMS_transpose_2d_arbitrary(TOMS_el_type * a,
- int nx, int ny,
- int el_size,
- char *move,
- int move_size);
-
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
-
-#endif /* TOMS_TRANSPOSE_H */
#define _assert_h
static char *SRCID_assert_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
#ifdef HAVE_IDENT
#ident "@(#) assert.h 1.12 11/23/92"
* And Hey:
* Good ROcking Metal Altar for Chronical Sinners
*/
+
static char *SRCID_atomprop_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
extern real get_mass(char *resnm, char *atomnm);
/* search the mass belonging to residue and atom,
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
/* Function definitions for alpha AXP assembly routines */
/* Double precision inverse square root */
#define _binio_h
static char *SRCID_binio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
#ifdef HAVE_IDENT
#ident "@(#) binio.h 1.5 11/23/92"
*/
static char *SRCID_block_tx_h = "$Id$";
-
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
extern void _blocktx(int dest,int nelem,int size,void *data);
extern void _blockrx(int src,int nelem,int size,void *data);
static char *SRCID_bondf_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) bondf.h 1.28 2/19/97"
#endif /* HAVE_IDENT */
#ifndef _buffer_h
#define _buffer_h
+
static char *SRCID_buffer_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) buffer.h 1.8 11/23/92"
#endif /* HAVE_IDENT */
*/
static char *SRCID_calcgrid_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
real calc_grid(matrix box,real gr_sp,int *nx,int *ny,int *nz,int nnodes);
/* Sets the number of grid points for each zero n* to the first reasonable
* number which gives a spacing equal to or smaller than gr_sp.
static char *SRCID_calch_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) calch.h 1.8 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_calcmu_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include "typedefs.h"
#include "network.h"
static char *SRCID_callf77_h = "$Id$";
-#include "typedefs.h"
-
-/* Initiate invsqrt calculations in fortran */
-extern void fillbuf(void);
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+#ifdef USE_FORTRAN
+
+#define FUNC(name,NAME) F77_FUNC(name,NAME)
+#define SCALARG(name) *name
+#define SCAL(name) &(name)
-/* Fortran versions of shake and settle */
-extern void fsettle(int *nshake,int owptr[],
- real b4[],real after[],
- real *dOH,real *dHH,real *mO,real *mH,int *error);
-
-extern void fshake(atom_id iatom[],int *ncon,int *nit,int *maxnit,
- real dist2[],real xp[],real rij[],real m2[],
- real invmass[],real tt[],real lambda[],int *error);
+/* define f77 name mangling - we dont need any
+ * special macros for names with underscores since
+ * no such identifiers exist in gromacs right now.
+ * If you add one you should include the definition
+ * of F77_NAME_EXTRA_UNDERSCORE below and create
+ * the macro F77_FUNC_(name,NAME).
+ */
+#ifdef F77_NAME_LOWERCASE
+# define F77_FUNC(name,NAME) name
+# ifdef F77_NAME_EXTRA_UNDERSCORE
+# define F77_FUNC_(name,NAME) name ## _
+# else
+# define F77_FUNC_(name,NAME) name
+# endif
+#elif defined F77_NAME_LOWERCASE_UNDERSCORE
+# define F77_FUNC(name,NAME) name ## _
+# ifdef F77_NAME_EXTRA_UNDERSCORE
+# define F77_FUNC_(name,NAME) name ## __
+# else
+# define F77_FUNC_(name,NAME) name ## _
+# endif
+#elif defined F77_NAME_UPPERCASE
+# define F77_FUNC(name,NAME) NAME
+# ifdef F77_NAME_EXTRA_UNDERSCORE
+# define F77_FUNC_(name,NAME) NAME ## _
+# else
+# define F77_FUNC_(name,NAME) NAME
+# endif
+#elif defined F77_NAME_UPPERCASE_UNDERSCORE
+# define F77_FUNC(name,NAME) NAME ## _
+# ifdef F77_NAME_EXTRA_UNDERSCORE
+# define F77_FUNC_(name,NAME) NAME ## __
+# else
+# define F77_FUNC_(name,NAME) NAME ## _
+# endif
+#endif
-/* Fortran routines for LINCS algorithm */
-extern void flincsp(real *x,real *f,real *fp,int *nc,
- int *bla1,int *bla2,int *blnr,
- int *blbnb,real *blc,real *blcc,real *blm,
- int *nrec,real *invmass,real *r,real *temp1,
- real *temp2,real *temp3);
+#else /* Use C */
-extern void flincs(real *x,real *xp,int *nc,
- int *bla1,int *bla2,int *blnr,
- int *blbnb,real *bllen,real *blc,real *blcc,real *blm,
- int *nit,int *nrec,real *invmass,real *r,real *temp1,
- real *temp2,real *temp3,real *wangle,int *warn,
- real *lambda);
+#define FUNC(name,NAME) name
+#define SCALARG(name) name
+#define SCAL(name) name
-extern void fql77(int *n,real *x, real *d, real *e, int *nmax);
+#endif
#endif
static char *SRCID_cm5io_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <stdio.h>
extern void cm5io_tx(int pid,void *buf,int bufsize);
static char *SRCID_comlib_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) comlib.h 1.3 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_complex_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <math.h>
#include "typedefs.h"
static char *SRCID_comtest_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) comtest.h 1.3 11/23/92"
#endif /* HAVE_IDENT */
--- /dev/null
+/* src/include/config.h.in. Generated automatically from configure.in by autoheader. */
+
+/* Define to empty if the keyword does not work. */
+#undef const
+
+/* Define to `int' if <sys/types.h> doesn't define. */
+#undef gid_t
+
+/* Define if you don't have vprintf but do have _doprnt. */
+#undef HAVE_DOPRNT
+
+/* Define if you have the vprintf function. */
+#undef HAVE_VPRINTF
+
+/* Define as __inline if that's what the C compiler calls it. */
+#undef inline
+
+/* Define as the return type of signal handlers (int or void). */
+#undef RETSIGTYPE
+
+/* Define to `unsigned' if <sys/types.h> doesn't define. */
+#undef size_t
+
+/* Define if you have the ANSI C header files. */
+#undef STDC_HEADERS
+
+/* Define if your <sys/time.h> declares struct tm. */
+#undef TM_IN_SYS_TIME
+
+/* Define to `int' if <sys/types.h> doesn't define. */
+#undef uid_t
+
+/* Define if the X Window System is missing or not being used. */
+#undef X_DISPLAY_MISSING
+
+/* Define if you have the strcasecmp function. */
+#undef HAVE_STRCASECMP
+
+/* Define if you have the strdup function. */
+#undef HAVE_STRDUP
+
+/* Define if you have the <limits.h> header file. */
+#undef HAVE_LIMITS_H
+
+/* Define if you have the <malloc.h> header file. */
+#undef HAVE_MALLOC_H
+
+/* Define if you have the <rpc/rpc.h> header file. */
+#undef HAVE_RPC_RPC_H
+
+/* Define if you have the <rpc/xdr.h> header file. */
+#undef HAVE_RPC_XDR_H
+
+/* Define if you have the <strings.h> header file. */
+#undef HAVE_STRINGS_H
+
+/* Define if you have the <unistd.h> header file. */
+#undef HAVE_UNISTD_H
+
+/* Define if you have the m library (-lm). */
+#undef HAVE_LIBM
+
+/* Define if you have the mass library (-lmass). */
+#undef HAVE_LIBMASS
+
+/* Define if you have the nsl library (-lnsl). */
+#undef HAVE_LIBNSL
+
+/* Define if you have the xlopt library (-lxlopt). */
+#undef HAVE_LIBXLOPT
+
+/* Name of package */
+#undef PACKAGE
+
+/* Version number of package */
+#undef VERSION
+
+/* Include Alpha AXP assembly for vectorized sqrt/invsqrt */
+#undef USE_AXP_ASM
+
+/* call f77 with lowercase, no underscore */
+#undef F77_NAME_LOWERCASE
+
+/* call f77 with lowercase and underscore */
+#undef F77_NAME_LOWERCASE_UNDERSCORE
+
+/* call f77 with uppercase, no underscore */
+#undef F77_NAME_UPPERCASE
+
+/* call f77 with uppercase and underscore */
+#undef F77_NAME_UPPERCASE_UNDERSCORE
+
+/* Append extra underscore to already underscored names */
+#undef F77_NAME_EXTRA_UNDERSCORE
+
+/* Does this machine have the ident command */
+#undef HAVE_IDENT
+
+/* Use the vectorized routines in IBM MASS library */
+#undef USE_IBM_MASS
+
+/* Use the d prefix on fftw includes */
+#undef FFTW_NAME_DFFTW
+
+/* Use the s prefix on fftw includes */
+#undef FFTW_NAME_SFFTW
+
+/* Dont use any prefixing on fftw includes */
+#undef FFTW_NAME_FFTW
+
+/* Use motif/lesstif libraries */
+#undef HAVE_MOTIF
+
+/* Make a parallel version of Gromacs using MPI */
+#undef USE_MPI
+
+/* Optimize for a vector architecture */
+#undef USE_VECTOR
+
+/* Use Fortran for innerloops and some other core stuff */
+#undef USE_FORTRAN
+
+/* Compile in double precision */
+#undef DOUBLE
+
+/* Expand the water loops to three inner loops */
+#undef SIMPLEWATER
+
+/* Don't use special loops for all-water interactions */
+#undef DISABLE_WATERWATER_LOOPS
+
+/* Turn off the automatic nicing of gromacs */
+#undef NO_NICE
+
+/* Use x86 assembly with SSE instructions */
+#undef USE_SSE
+
+/* Use x86 assembly with 3DNow instructions */
+#undef USE_3DNOW
+
+/* Use xdr routines to make trajectories portable */
+#undef USE_XDR
+
+/* Use the Gromacs software 1/sqrt(x) */
+#undef SOFTWARE_SQRT
+
+/* Use the Gromacs software 1/x */
+#undef SOFTWARE_RECIP
+
+/* Try to get coordinates to cache before using them */
+#undef DECREASE_SQUARE_LATENCY
+
+/* Try to get table data to cache before using it */
+#undef DECREASE_LOOKUP_LATENCY
+
+/* If defined, only start MPI runs when this variable is set */
+#undef CHECK_MPI_ENV
+
+/* Vectorize 1/sqrt(x) in normal loops */
+#undef VECTORIZE_INVSQRT
+
+/* Vectorize 1/sqrt(x) in solvent loops */
+#undef VECTORIZE_INVSQRT_S
+
+/* Vectorize 1/sqrt(x) in water loops */
+#undef VECTORIZE_INVSQRT_W
+
+/* Vectorize 1/sqrt(x) in water-water loops */
+#undef VECTORIZE_INVSQRT_WW
+
+/* Prefetch coordinates in normal loops */
+#undef PREFETCH_X
+
+/* Prefetch coordinates in solvent loops */
+#undef PREFETCH_X_S
+
+/* Prefetch coordinates in water loops */
+#undef PREFETCH_X_W
+
+/* Prefetch coordinates in water-water loops */
+#undef PREFETCH_X_WW
+
+/* Prefetch coordinates in normal loops */
+#undef PREFETCH_F
+
+/* Prefetch coordinates in solvent loops */
+#undef PREFETCH_F_S
+
+/* Prefetch coordinates in water loops */
+#undef PREFETCH_F_W
+
+/* Prefetch coordinates in water-water loops */
+#undef PREFETCH_F_WW
+
+/* Vectorize the reciprocal calculation */
+#undef VECTORIZE_RECIP
+
+/* Default topology file location */
+#undef GMXLIBDIR
+
static char *SRCID_confio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) confio.h 1.16 11/23/92"
#endif /* HAVE_IDENT */
void lincs_warning(rvec *x,rvec *xprime,
int ncons,int *bla1,int *bla2,real *bllen,real wangle);
+
+
+#ifdef USE_FORTRAN
+extern void F77_FUNC(fsettle,FSETTLE)(int *nshake,int owptr[],
+ real b4[],real after[],
+ real *dOH,real *dHH,
+ real *mO,real *mH,int *error);
+extern void F77_FUNC(fshake,FSHAKE)(atom_id iatom[],int *ncon,
+ int *nit, int *maxnit,
+ real dist2[],real xp[],
+ real rij[],real m2[],
+ real invmass[],real tt[],
+ real lambda[],int *error);
+extern void F77_FUNC(flincsp,FLINCSP)(real *x,real *f,real *fp,
+ int *nc, int *bla1,int *bla2,
+ int *blnr,int *blbnb,
+ real *blc,real *blcc,real *blm,
+ int *nrec,real *invmass,
+ real *r, real *rhs1, real *rhs2,
+ real *sol);
+extern void F77_FUNC(flincsp,FLINCSP)(real *x,real *xp,int *nc,
+ int *bla1,int *bla2,int *blnr,
+ int *blbnb,real *bllen,
+ real *blc,real *blcc,real *blm,
+ int *nit,int *nrec,real *invmass,
+ real *r,real *temp1,real *temp2,
+ real *temp3,real *wangle,
+ int *warn,real *lambda);
+#endif
static char *SRCID_copyrite_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) copyright.h 1.10 11/23/92"
#endif /* HAVE_IDENT */
#ifdef CPLUSPLUS
extern "C" {
#endif
-
+
#include <stdio.h>
-/* Please no spaces in this one... */
-#define GromacsVersion() "VERSION 3.0b"
-
+/* Has to be a function, so we can get version number from autoconf */
+char *GromacsVersion();
+
+
static char *CopyrightText[] = {
"",
"Copyright (c) 1991-2001",
static char *SRCID_delay_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) delay.h 1.5 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_disre_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) disre.h 1.13 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_do_fit_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) do_fit.h 1.8 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_do_md_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) do_md.h 1.16 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_do_nm_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) do_nm.h 1.12 03 Mar 1996"
#endif /* HAVE_IDENT */
static char *SRCID_dummies_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <stdio.h>
#include "typedefs.h"
static char *SRCID_ebin_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) ebin.h 1.10 5/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_edsam_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
extern void ed_open(int nfile,t_filenm fnm[],t_edsamyn *edyn);
extern void init_edsam(FILE *log,t_topology *top,
t_mdatoms *md,int start,int homenr,
static char *SRCID_enxio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) enerio.h 1.13 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_ewald_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <stdio.h>
#include "typedefs.h"
#include "complex.h"
static char *SRCID_ewald_util_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <math.h>
#include "typedefs.h"
#include "complex.h"
static char *SRCID_fatal_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) fatal.h 1.9 11/23/92"
#endif /* HAVE_IDENT */
*/
static char *SRCID_ffscanf_h = "$Id$";
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
extern void ffscanf(FILE *in,char *fmt, ...);
static char *SRCID_fftgrid_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <stdio.h>
#include "typedefs.h"
-#include "fftw.h"
-#include "rfftw.h"
-#ifdef USE_MPI
-#include "mpi.h"
-#include "rfftw_mpi.h"
-#endif
+#include "fftw_wrapper.h"
#include "complex.h"
#include "network.h"
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
- */
-
-#ifndef _fftw_h
-#define _fftw_h
-
-static char *SRCID_fftw_h = "$Id$";
-
-#include <stdlib.h>
-#include <stdio.h>
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-#define FFTW_VERSION "2.1.2"
-/* Define for using single precision */
-/*
- * If you can, use configure --enable-float instead of changing this
- * flag directly
- */
-/* #undef FFTW_ENABLE_FLOAT */
-
-/* our real numbers */
-#ifdef DOUBLE
-typedef double fftw_real;
-#else
-typedef float fftw_real;
-#endif
-
-/*********************************************
- * Complex numbers and operations
- *********************************************/
-typedef struct {
- fftw_real re, im;
-} fftw_complex;
-
-#define c_re(c) ((c).re)
-#define c_im(c) ((c).im)
-
-typedef enum {
- FFTW_FORWARD = -1, FFTW_BACKWARD = 1
-} fftw_direction;
-
-/* backward compatibility with FFTW-1.3 */
-typedef fftw_complex FFTW_COMPLEX;
-typedef fftw_real FFTW_REAL;
-
-#ifndef FFTW_1_0_COMPATIBILITY
-#define FFTW_1_0_COMPATIBILITY 0
-#endif
-
-#if FFTW_1_0_COMPATIBILITY
-/* backward compatibility with FFTW-1.0 */
-#define REAL fftw_real
-#define COMPLEX fftw_complex
-#endif
-
-/*********************************************
- * Success or failure status
- *********************************************/
-
-typedef enum {
- FFTW_SUCCESS = 0, FFTW_FAILURE = -1
-} fftw_status;
-
-/*********************************************
- * Codelets
- *********************************************/
-typedef void (fftw_notw_codelet)
- (const fftw_complex *, fftw_complex *, int, int);
-typedef void (fftw_twiddle_codelet)
- (fftw_complex *, const fftw_complex *, int,
- int, int);
-typedef void (fftw_generic_codelet)
- (fftw_complex *, const fftw_complex *, int,
- int, int, int);
-typedef void (fftw_real2hc_codelet)
- (const fftw_real *, fftw_real *, fftw_real *,
- int, int, int);
-typedef void (fftw_hc2real_codelet)
- (const fftw_real *, const fftw_real *,
- fftw_real *, int, int, int);
-typedef void (fftw_hc2hc_codelet)
- (fftw_real *, const fftw_complex *,
- int, int, int);
-typedef void (fftw_rgeneric_codelet)
- (fftw_real *, const fftw_complex *, int,
- int, int, int);
-
-/*********************************************
- * Configurations
- *********************************************/
-/*
- * A configuration is a database of all known codelets
- */
-
-enum fftw_node_type {
- FFTW_NOTW, FFTW_TWIDDLE, FFTW_GENERIC, FFTW_RADER,
- FFTW_REAL2HC, FFTW_HC2REAL, FFTW_HC2HC, FFTW_RGENERIC
-};
-
-/* description of a codelet */
-typedef struct {
- const char *name; /* name of the codelet */
- void (*codelet) (); /* pointer to the codelet itself */
- int size; /* size of the codelet */
- fftw_direction dir; /* direction */
- enum fftw_node_type type; /* TWIDDLE or NO_TWIDDLE */
- int signature; /* unique id */
- int ntwiddle; /* number of twiddle factors */
- const int *twiddle_order; /*
- * array that determines the order
- * in which the codelet expects
- * the twiddle factors
- */
-} fftw_codelet_desc;
-
-/* On Win32, you need to do funny things to access global variables
- in shared libraries. Thanks to Andrew Sterian for this hack. */
-#if defined(__WIN32__) || defined(WIN32) || defined(_WINDOWS)
-# if defined(BUILD_FFTW_DLL)
-# define DL_IMPORT(type) __declspec(dllexport) type
-# elif defined(USE_FFTW_DLL)
-# define DL_IMPORT(type) __declspec(dllimport) type
-# else
-# define DL_IMPORT(type) type
-# endif
-#else
-# define DL_IMPORT(type) type
-#endif
-
-extern DL_IMPORT(const char *) fftw_version;
-
-/*****************************
- * Plans
- *****************************/
-/*
- * A plan is a sequence of reductions to compute a FFT of
- * a given size. At each step, the FFT algorithm can:
- *
- * 1) apply a notw codelet, or
- * 2) recurse and apply a twiddle codelet, or
- * 3) apply the generic codelet.
- */
-
-/* structure that contains twiddle factors */
-typedef struct fftw_twiddle_struct {
- int n;
- const fftw_codelet_desc *cdesc;
- fftw_complex *twarray;
- struct fftw_twiddle_struct *next;
- int refcnt;
-} fftw_twiddle;
-
-typedef struct fftw_rader_data_struct {
- struct fftw_plan_struct *plan;
- fftw_complex *omega;
- int g, ginv;
- int p, flags, refcount;
- struct fftw_rader_data_struct *next;
- fftw_codelet_desc *cdesc;
-} fftw_rader_data;
-
-typedef void (fftw_rader_codelet)
- (fftw_complex *, const fftw_complex *, int,
- int, int, fftw_rader_data *);
-
-/* structure that holds all the data needed for a given step */
-typedef struct fftw_plan_node_struct {
- enum fftw_node_type type;
-
- union {
- /* nodes of type FFTW_NOTW */
- struct {
- int size;
- fftw_notw_codelet *codelet;
- const fftw_codelet_desc *codelet_desc;
- } notw;
-
- /* nodes of type FFTW_TWIDDLE */
- struct {
- int size;
- fftw_twiddle_codelet *codelet;
- fftw_twiddle *tw;
- struct fftw_plan_node_struct *recurse;
- const fftw_codelet_desc *codelet_desc;
- } twiddle;
-
- /* nodes of type FFTW_GENERIC */
- struct {
- int size;
- fftw_generic_codelet *codelet;
- fftw_twiddle *tw;
- struct fftw_plan_node_struct *recurse;
- } generic;
-
- /* nodes of type FFTW_RADER */
- struct {
- int size;
- fftw_rader_codelet *codelet;
- fftw_rader_data *rader_data;
- fftw_twiddle *tw;
- struct fftw_plan_node_struct *recurse;
- } rader;
-
- /* nodes of type FFTW_REAL2HC */
- struct {
- int size;
- fftw_real2hc_codelet *codelet;
- const fftw_codelet_desc *codelet_desc;
- } real2hc;
-
- /* nodes of type FFTW_HC2REAL */
- struct {
- int size;
- fftw_hc2real_codelet *codelet;
- const fftw_codelet_desc *codelet_desc;
- } hc2real;
-
- /* nodes of type FFTW_HC2HC */
- struct {
- int size;
- fftw_direction dir;
- fftw_hc2hc_codelet *codelet;
- fftw_twiddle *tw;
- struct fftw_plan_node_struct *recurse;
- const fftw_codelet_desc *codelet_desc;
- } hc2hc;
-
- /* nodes of type FFTW_RGENERIC */
- struct {
- int size;
- fftw_direction dir;
- fftw_rgeneric_codelet *codelet;
- fftw_twiddle *tw;
- struct fftw_plan_node_struct *recurse;
- } rgeneric;
- } nodeu;
-
- int refcnt;
-} fftw_plan_node;
-
-struct fftw_plan_struct {
- int n;
- int refcnt;
- fftw_direction dir;
- int flags;
- int wisdom_signature;
- enum fftw_node_type wisdom_type;
- struct fftw_plan_struct *next;
- fftw_plan_node *root;
- double cost;
-};
-
-/* a plan is just an array of instructions */
-typedef struct fftw_plan_struct *fftw_plan;
-
-/* flags for the planner */
-#define FFTW_ESTIMATE (0)
-#define FFTW_MEASURE (1)
-
-#define FFTW_OUT_OF_PLACE (0)
-#define FFTW_IN_PLACE (8)
-#define FFTW_USE_WISDOM (16)
-
-#define FFTW_THREADSAFE (128) /* guarantee plan is read-only so that the
- same plan can be used in parallel by
- multiple threads */
-
-#define FFTWND_FORCE_BUFFERED (256) /* internal, undocumented flag */
-
-extern fftw_plan fftw_create_plan_specific(int n, fftw_direction dir,
- int flags,
- fftw_complex *in, int istride,
- fftw_complex *out, int ostride);
-#define FFTW_HAS_PLAN_SPECIFIC
-extern fftw_plan fftw_create_plan(int n, fftw_direction dir, int flags);
-extern void fftw_print_plan(fftw_plan plan);
-extern void fftw_destroy_plan(fftw_plan plan);
-extern void fftw(fftw_plan plan, int howmany, fftw_complex *in, int istride,
- int idist, fftw_complex *out, int ostride, int odist);
-extern void fftw_one(fftw_plan plan, fftw_complex *in, fftw_complex *out);
-extern void fftw_die(const char *s);
-extern void *fftw_malloc(size_t n);
-extern void fftw_free(void *p);
-extern void fftw_check_memory_leaks(void);
-extern void fftw_print_max_memory_usage(void);
-
-typedef void *(*fftw_malloc_type_function) (size_t n);
-typedef void (*fftw_free_type_function) (void *p);
-typedef void (*fftw_die_type_function) (const char *errString);
-extern DL_IMPORT(fftw_malloc_type_function) fftw_malloc_hook;
-extern DL_IMPORT(fftw_free_type_function) fftw_free_hook;
-extern DL_IMPORT(fftw_die_type_function) fftw_die_hook;
-
-extern size_t fftw_sizeof_fftw_real(void);
-
-/* Wisdom: */
-/*
- * define this symbol so that users know we are using a version of FFTW
- * with wisdom
- */
-#define FFTW_HAS_WISDOM
-extern void fftw_forget_wisdom(void);
-extern void fftw_export_wisdom(void (*emitter) (char c, void *), void *data);
-extern fftw_status fftw_import_wisdom(int (*g) (void *), void *data);
-extern void fftw_export_wisdom_to_file(FILE *output_file);
-extern fftw_status fftw_import_wisdom_from_file(FILE *input_file);
-extern char *fftw_export_wisdom_to_string(void);
-extern fftw_status fftw_import_wisdom_from_string(const char *input_string);
-
-/*
- * define symbol so we know this function is available (it is not in
- * older FFTWs)
- */
-#define FFTW_HAS_FPRINT_PLAN
-extern void fftw_fprint_plan(FILE *f, fftw_plan plan);
-
-/*****************************
- * N-dimensional code
- *****************************/
-typedef struct {
- int is_in_place; /* 1 if for in-place FFTs, 0 otherwise */
-
- int rank; /*
- * the rank (number of dimensions) of the
- * array to be FFTed
- */
- int *n; /*
- * the dimensions of the array to the
- * FFTed
- */
- fftw_direction dir;
-
- int *n_before; /*
- * n_before[i] = product of n[j] for j < i
- */
- int *n_after; /* n_after[i] = product of n[j] for j > i */
-
- fftw_plan *plans; /* 1d fftw plans for each dimension */
-
- int nbuffers, nwork;
- fftw_complex *work; /*
- * work array big enough to hold
- * nbuffers+1 of the largest dimension
- * (has nwork elements)
- */
-} fftwnd_data;
-
-typedef fftwnd_data *fftwnd_plan;
-
-/* Initializing the FFTWND plan: */
-extern fftwnd_plan fftw2d_create_plan(int nx, int ny, fftw_direction dir,
- int flags);
-extern fftwnd_plan fftw3d_create_plan(int nx, int ny, int nz,
- fftw_direction dir, int flags);
-extern fftwnd_plan fftwnd_create_plan(int rank, const int *n,
- fftw_direction dir,
- int flags);
-
-extern fftwnd_plan fftw2d_create_plan_specific(int nx, int ny,
- fftw_direction dir,
- int flags,
- fftw_complex *in, int istride,
- fftw_complex *out, int ostride);
-extern fftwnd_plan fftw3d_create_plan_specific(int nx, int ny, int nz,
- fftw_direction dir, int flags,
- fftw_complex *in, int istride,
- fftw_complex *out, int ostride);
-extern fftwnd_plan fftwnd_create_plan_specific(int rank, const int *n,
- fftw_direction dir,
- int flags,
- fftw_complex *in, int istride,
- fftw_complex *out, int ostride);
-
-/* Freeing the FFTWND plan: */
-extern void fftwnd_destroy_plan(fftwnd_plan plan);
-
-/* Printing the plan: */
-extern void fftwnd_fprint_plan(FILE *f, fftwnd_plan p);
-extern void fftwnd_print_plan(fftwnd_plan p);
-#define FFTWND_HAS_PRINT_PLAN
-
-/* Computing the N-Dimensional FFT */
-extern void fftwnd(fftwnd_plan plan, int howmany,
- fftw_complex *in, int istride, int idist,
- fftw_complex *out, int ostride, int odist);
-extern void fftwnd_one(fftwnd_plan p, fftw_complex *in, fftw_complex *out);
-
-#ifdef __cplusplus
-} /* extern "C" */
-
-#endif /* __cplusplus */
-#endif /* FFTW_H */
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Good ROcking Metal Altar for Chronical Sinners
- */
-#ifndef FFTW_MPI_H
-#define FFTW_MPI_H
-
-static char *SRCID_fftw_mpi_h = "$Id$";
-
-#include "fftw.h"
-#include <mpi.h> /* need access to the MPI type definitions */
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-/***********************************************************************/
-
-typedef fftw_real TRANSPOSE_EL_TYPE;
-
-typedef struct {
- int block_num, dest_pe, send_size, recv_size;
-} transpose_mpi_exchange;
-
-typedef struct {
- MPI_Comm comm;
- int n_pes, my_pe;
-
- int nx,ny,local_nx,local_ny;
-
- transpose_mpi_exchange *exchange;
- int num_steps, send_block_size, recv_block_size;
-
- MPI_Datatype el_type;
-
- MPI_Request request[2];
-
- int *perm_block_dest;
- int num_perm_blocks, perm_block_size;
-
- int all_blocks_equal;
- int *send_block_sizes, *send_block_offsets;
- int *recv_block_sizes, *recv_block_offsets;
-
- char *move;
- int move_size;
-} transpose_mpi_plan_struct;
-
-typedef transpose_mpi_plan_struct *transpose_mpi_plan;
-
-extern void transpose_mpi_get_local_size(int n, int my_pe, int n_pes,
- int *local_n, int *local_start);
-extern int transpose_mpi_get_local_storage_size(int nx, int ny,
- int my_pe, int n_pes);
-
-extern transpose_mpi_plan transpose_mpi_create_plan(int nx, int ny,
- MPI_Comm comm);
-extern void transpose_mpi_destroy_plan(transpose_mpi_plan p);
-
-extern void transpose_mpi(transpose_mpi_plan p, int el_size,
- TRANSPOSE_EL_TYPE *local_data,
- TRANSPOSE_EL_TYPE *work);
-
-typedef enum { BEFORE_TRANSPOSE, AFTER_TRANSPOSE } transpose_in_place_which;
-
-typedef enum { TRANSPOSE_SYNC, TRANSPOSE_ASYNC } transpose_sync_type;
-
-extern void transpose_in_place_local(transpose_mpi_plan p,
- int el_size, TRANSPOSE_EL_TYPE *local_data,
- transpose_in_place_which which);
-
-extern TRANSPOSE_EL_TYPE *transpose_allocate_send_buf(transpose_mpi_plan p,
- int el_size);
-extern void transpose_get_send_block(transpose_mpi_plan p, int step,
- int *block_y_start, int *block_ny);
-extern void transpose_start_exchange_step(transpose_mpi_plan p,
- int el_size,
- TRANSPOSE_EL_TYPE *local_data,
- TRANSPOSE_EL_TYPE *send_buf,
- int step,
- transpose_sync_type sync_type);
-extern void transpose_finish_exchange_step(transpose_mpi_plan p, int step);
-
-/***********************************************************************/
-
-typedef struct {
- fftw_plan p_fft_x; /* plan for first dimension */
- fftwnd_plan p_fft; /* plan for subsequent dimensions */
- transpose_mpi_plan p_transpose, p_transpose_inv;
- fftw_complex *work; /* extra workspace, if needed */
-} fftwnd_mpi_plan_data;
-
-typedef fftwnd_mpi_plan_data *fftwnd_mpi_plan;
-
-typedef enum {
- FFTW_NORMAL_ORDER,
- FFTW_TRANSPOSED_ORDER
-} fftwnd_mpi_output_order;
-
-extern fftwnd_mpi_plan fftwnd_mpi_create_plan(MPI_Comm comm,
- int rank, const int *n,
- fftw_direction dir,
- int flags);
-extern fftwnd_mpi_plan fftw2d_mpi_create_plan(MPI_Comm comm,
- int nx, int ny,
- fftw_direction dir, int flags);
-extern fftwnd_mpi_plan fftw3d_mpi_create_plan(MPI_Comm comm,
- int nx, int ny, int nz,
- fftw_direction dir, int flags);
-
-extern void fftwnd_mpi_destroy_plan(fftwnd_mpi_plan p);
-
-extern void fftwnd_mpi_local_sizes(fftwnd_mpi_plan p,
- int *local_nx,
- int *local_x_start,
- int *local_ny_after_transpose,
- int *local_y_start_after_transpose,
- int *total_local_size);
-
-extern void fftwnd_mpi(fftwnd_mpi_plan p,
- int n_fields,
- fftw_complex *local_data, fftw_complex *work,
- fftwnd_mpi_output_order output_order);
-
-extern void fftw_mpi_die(const char *error_string);
-
-/***********************************************************************/
-
-typedef struct fftw_mpi_twiddle_struct {
- int rows, rowstart, cols, n;
- fftw_complex *W;
- int refcount;
- struct fftw_mpi_twiddle_struct *next;
-} fftw_mpi_twiddle;
-
-typedef struct fftw_mpi_plan_struct {
- int n, m, r, local_m, local_m_start, local_r, local_r_start;
- fftw_complex *fft_work;
- fftw_mpi_twiddle *tw;
- transpose_mpi_plan p_transpose, p_transpose_inv;
- fftw_plan pm, pr;
- int flags;
- fftw_direction dir;
-} *fftw_mpi_plan;
-
-/* new flags for the MPI planner: */
-#define FFTW_SCRAMBLED_INPUT (8192)
-#define FFTW_SCRAMBLED_OUTPUT (16384)
-
-extern void fftw_mpi_local_sizes(fftw_mpi_plan p,
- int *local_n,
- int *local_start,
- int *local_n_after_transform,
- int *local_start_after_transform,
- int *total_local_size);
-
-extern fftw_mpi_plan fftw_mpi_create_plan(MPI_Comm comm,
- int n,
- fftw_direction dir, int flags);
-
-extern void fftw_mpi_destroy_plan(fftw_mpi_plan p);
-
-extern void fftw_mpi(fftw_mpi_plan p, int n_fields,
- fftw_complex *local_data, fftw_complex *work);
-
-extern void fftw_mpi_print_plan(fftw_mpi_plan p);
-
-/***********************************************************************/
-
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
-
-#endif /* FFTW_MPI_H */
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Good ROcking Metal Altar for Chronical Sinners
- */
-#ifndef FFTW_THREADS_H
-#define FFTW_THREADS_H
-
-static char *SRCID_fftw_threads_h = "$Id$";
-
-#include "fftw.h"
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-/******************** User Interface *********************/
-
-extern void fftw_threads(int nthreads,
- fftw_plan plan, int howmany, fftw_complex *in, int istride,
- int idist, fftw_complex *out, int ostride, int odist);
-extern void fftwnd_threads(int nthreads,
- fftwnd_plan plan, int howmany,
- fftw_complex *in, int istride, int idist,
- fftw_complex *out, int ostride, int odist);
-
-extern void fftw_threads_one(int nthreads,
- fftw_plan plan,
- fftw_complex *in, fftw_complex *out);
-extern void fftwnd_threads_one(int nthreads,
- fftwnd_plan plan,
- fftw_complex *in, fftw_complex *out);
-
-extern int fftw_threads_init(void);
-
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
-
-#endif /* FFTW_THREADS_H */
* And Hey:
* Green Red Orange Magenta Azure Cyan Skyblue
*/
-static char *SRCID_gmxsched_h = "$Id$";
-#ifndef GMXSCHED_H
-#define GMXSCHED_H
+#ifndef _fftw_wrapper_h
+#define _fftw_wrapper_h
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
+static char *SRCID_fftw_wrapper_h = "$Id$";
-extern void free_comm_schedule(int **sched, int npes);
-extern void empty_comm_schedule(int **sched, int npes);
-extern int **make_comm_schedule(int npes);
-extern void fill_comm_schedule(int **sched, int npes);
-extern int check_comm_schedule(int **sched, int npes);
-extern void invert_comm_schedule(int **sched, int npes);
-extern void sort_comm_schedule(int **sched, int npes, int sort_pe);
-extern void print_comm_schedule(int **sched, int npes);
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
+#ifdef FFTW_NAME_FFTW
+# include<fftw.h>
+# include<rfftw.h>
+# ifdef USE_MPI
+# include<fftw_mpi.h>
+# include<rfftw_mpi.h>
+# endif
+#elif defined FFTW_NAME_SFFTW
+# include<sfftw.h>
+# include<srfftw.h>
+# ifdef USE_MPI
+# include<sfftw_mpi.h>
+# include<srfftw_mpi.h>
+# endif
+#elif defined FFTW_NAME_DFFTW
+# include<dfftw.h>
+# include<drfftw.h>
+# ifdef USE_MPI
+# include<dfftw_mpi.h>
+# include<drfftw_mpi.h>
+# endif
+#endif
-#endif /* GMXSCHED_H */
+#endif
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Good ROcking Metal Altar for Chronical Sinners
- */
-#ifndef FFTWND_MPI_H
-#define FFTWND_MPI_H
-
-static char *SRCID_fftwnd_mpi_h = "$Id$";
-
-#include "fftw.h"
-#include "transpose_mpi.h"
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-typedef struct {
- fftwnd_plan p_fft;
- transpose_mpi_plan p_transpose, p_transpose_inv;
-} fftwnd_mpi_aux_data;
-
-typedef fftwnd_mpi_aux_data *fftwnd_mpi_plan;
-
-typedef enum {
- FFTW_NORMAL_ORDER,
- FFTW_TRANSPOSED_ORDER
-} fftwnd_mpi_output_order;
-
-extern fftwnd_mpi_plan fftwnd_mpi_create_plan(MPI_Comm comm,
- int rank, const int *n,
- fftw_direction dir,
- int flags);
-extern fftwnd_mpi_plan fftw2d_mpi_create_plan(MPI_Comm comm,
- int nx, int ny,
- fftw_direction dir, int flags);
-extern fftwnd_mpi_plan fftw3d_mpi_create_plan(MPI_Comm comm,
- int nx, int ny, int nz,
- fftw_direction dir, int flags);
-
-extern void fftwnd_mpi_destroy_plan(fftwnd_mpi_plan p);
-
-extern void fftwnd_mpi_local_sizes(fftwnd_mpi_plan p,
- int *local_nx,
- int *local_x_start,
- int *local_ny_after_transpose,
- int *local_y_start_after_transpose,
- int *total_local_size);
-
-extern void fftwnd_mpi(fftwnd_mpi_plan p,
- int n_fields, fftw_complex * local_data,
- fftwnd_mpi_output_order output_order);
-
-
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
-
-#endif /* FFTWND_MPI_H */
static char *SRCID_filenm_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) filenm.h 1.14 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_force_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) force.h 1.53 5/15/97"
#endif /* HAVE_IDENT */
#include "network.h"
#include "tgroup.h"
+
extern void calc_vir(FILE *log,int nxf,rvec x[],rvec f[],tensor vir,
t_commrec *cr);
/* Calculate virial for nxf atoms, and add it to vir */
static char *SRCID_futil_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) futil.h 1.1 11/23/92"
#endif /* HAVE_IDENT */
*/
static char *SRCID_gbutil_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
extern void rotate_conf(int natom,rvec *x,rvec *v,real alfa, real beta,real gamma);
/*rotate() rotates a configuration alfa degrees around the x_axis and beta degrees around the y_axis, *v can be NULL */
*/
static char *SRCID_general_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifndef __GENERAL__
#define __GENERAL__
#ifndef _gmxfio_h
#define _gmxfio_h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
static char *SRCID_gmxfio_h = "$Id$";
#include "typedefs.h"
#ifndef _grompp_h
#define _grompp_h
+#include <config.h>
+
static char *SRCID_grompp_h = "$Id$";
#ifdef HAVE_IDENT
#ifndef _gstat_h
#define _gstat_h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
static char *SRCID_gstat_h = "$Id$";
#include "typedefs.h"
*/
static char *SRCID_index_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
extern t_block *new_block(void);
/* allocate new block */
static char *SRCID_init_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) init.h 1.13 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_inout_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) inout.h 1.6 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_invblock_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) invblock.h 1.8 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_javaio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include "typedefs.h"
void write_java(FILE *out,
static char *SRCID_list_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) list.h 1.15 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_macros_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) macros.h 1.8 11/23/92"
#endif /* HAVE_IDENT */
*/
static char *SRCID_magic_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifndef GROMACS_MAGIC
#define GROMACS_MAGIC 0xff0d
#endif
static char *SRCID_main_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) main.h 1.3 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_maths_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) maths.h 1.11 11/24/92"
#endif /* HAVE_IDENT */
static char *SRCID_matio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) matio.h 1.11 5/20/97"
#endif /* HAVE_IDENT */
static char *SRCID_mdatoms_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include "typedefs.h"
extern t_mdatoms *atoms2md(FILE *fp,t_atoms *atoms,ivec nFreeze[],
static char *SRCID_mdebin_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) mdebin.h 1.12 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_mdrun_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) do_md.h 1.12 03 Mar 1996"
#endif /* HAVE_IDENT */
static char *SRCID_memdump_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) memdump.h 1.6 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_memtab_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) memtab.h 1.12 12/16/92"
#endif /* HAVE_IDENT */
static char *SRCID_memtest_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) memtest.h 1.3 11/23/92"
#endif /* HAVE_IDENT */
#ifndef _metacode_h
#define _metacode_h
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <stdio.h>
#include <stdlib.h>
#include <stdarg.h>
static char *SRCID_mpiio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <mpi.h>
#include "typedefs.h"
static char *SRCID_mshift_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) mshift.h 1.11 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_mvdata_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) mvdata.h 1.6 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_names_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) names.h 1.23 5/20/97"
#endif /* HAVE_IDENT */
static char *SRCID_network_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) network.h 1.9 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_nhash_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) nhash.h 1.3 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_nr_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
extern void ludcmp(real **a,int n,int *indx,real *d);
static char *SRCID_nrama_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) nrama.h 1.9 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_nrjac_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
extern void jacobi(double **a,int n,double d[],double **v,int *nrot);
/*
* real **omega = input matrix a[0..n-1][0..n-1] must be symmetric
static char *SRCID_nrnb_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) nrnb.h 1.9 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_ns_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) ns.h 1.50 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_nsb_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
extern void calc_nsbshift(FILE *fp,t_nsborder *nsb);
/* Calculates the shift and bshift variables */
static char *SRCID_nsgrid_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) nsgrid.h 1.7 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_pbc_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) pbc.h 1.17 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_pdbio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) pdbio.h 1.12 7/28/97"
#endif /* HAVE_IDENT */
static char *SRCID_pdebug_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) pdebug.h 1.7 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_physics_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) physics.h 1.6 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_pme_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <stdio.h>
#include "typedefs.h"
#include "complex.h"
static char *SRCID_pppm_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <stdio.h>
#include "typedefs.h"
#include "complex.h"
static char *SRCID_princ_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include "typedefs.h"
extern void rotate_atoms(int gnx,atom_id index[],rvec x[],matrix trans);
static char *SRCID_pull_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include "vec.h"
#include "typedefs.h"
static char *SRCID_pvmio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include "pvm3.h"
extern void pvmio_tx(int nodeid,void *buf,int bufsize);
static char *SRCID_random_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) random.h 1.5 12/16/92"
#endif /* HAVE_IDENT */
static char *SRCID_rbin_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) rbin.h 1.8 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_rdgroup_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) rdgroup.h 1.15 2/2/97"
#endif /* HAVE_IDENT */
*/
static char *SRCID_rdklib_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
/* Rolf-Dieter Klein, 900907 1.0 SPC 860 */
/* rev 900917 r 2.01 */
/* rev 901213 r 2.10 */
static char *SRCID_readcomp_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) readcomp.h 1.12 25 Jan 1993"
#endif /* HAVE_IDENT */
static char *SRCID_readinp_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include "typedefs.h"
typedef struct {
static char *SRCID_renum_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) renum.h 1.6 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_reorder_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) reorder.h 1.4 11/23/92"
#endif /* HAVE_IDENT */
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
- */
-/* rfftw.h -- system-wide definitions for rfftw */
-#ifndef RFFTW_H
-#define RFFTW_H
-
-static char *SRCID_rfftw_h = "$Id$";
-
-#include "fftw.h"
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-/****************************************************************************/
-
-#define RFFTW_V2
-
-typedef fftw_plan rfftw_plan;
-typedef fftwnd_plan rfftwnd_plan;
-
-#define FFTW_REAL_TO_COMPLEX FFTW_FORWARD
-#define FFTW_COMPLEX_TO_REAL FFTW_BACKWARD
-
-extern void rfftw(rfftw_plan plan, int howmany, fftw_real *in, int istride,
- int idist, fftw_real *out, int ostride, int odist);
-extern void rfftw_one(rfftw_plan plan, fftw_real *in, fftw_real *out);
-
-extern rfftw_plan rfftw_create_plan_specific(int n, fftw_direction dir,
- int flags,
- fftw_real *in, int istride,
- fftw_real *out, int ostride);
-
-extern rfftw_plan rfftw_create_plan(int n, fftw_direction dir, int flags);
-extern void rfftw_destroy_plan(rfftw_plan plan);
-
-extern void rfftw_fprint_plan(FILE *f, rfftw_plan p);
-extern void rfftw_print_plan(rfftw_plan p);
-
-extern void rfftw_executor_simple(int n, fftw_real *in,
- fftw_real *out,
- fftw_plan_node *p,
- int istride,
- int ostride);
-
-extern rfftwnd_plan rfftwnd_create_plan_specific(int rank, const int *n,
- fftw_direction dir, int flags,
- fftw_real *in, int istride,
- fftw_real *out, int ostride);
-extern rfftwnd_plan rfftw2d_create_plan_specific(int nx, int ny,
- fftw_direction dir, int flags,
- fftw_real *in, int istride,
- fftw_real *out, int ostride);
-extern rfftwnd_plan rfftw3d_create_plan_specific(int nx, int ny, int nz,
- fftw_direction dir, int flags,
- fftw_real *in, int istride,
- fftw_real *out, int ostride);
-extern rfftwnd_plan rfftwnd_create_plan(int rank, const int *n,
- fftw_direction dir, int flags);
-extern rfftwnd_plan rfftw2d_create_plan(int nx, int ny,
- fftw_direction dir, int flags);
-extern rfftwnd_plan rfftw3d_create_plan(int nx, int ny, int nz,
- fftw_direction dir, int flags);
-extern void rfftwnd_destroy_plan(rfftwnd_plan plan);
-extern void rfftwnd_fprint_plan(FILE *f, rfftwnd_plan plan);
-extern void rfftwnd_print_plan(rfftwnd_plan plan);
-extern void rfftwnd_real_to_complex(rfftwnd_plan p, int howmany,
- fftw_real *in, int istride, int idist,
- fftw_complex *out, int ostride, int odist);
-extern void rfftwnd_complex_to_real(rfftwnd_plan p, int howmany,
- fftw_complex *in, int istride, int idist,
- fftw_real *out, int ostride, int odist);
-extern void rfftwnd_one_real_to_complex(rfftwnd_plan p,
- fftw_real *in, fftw_complex *out);
-extern void rfftwnd_one_complex_to_real(rfftwnd_plan p,
- fftw_complex *in, fftw_real *out);
-
-/****************************************************************************/
-
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
-#endif /* RFFTW_H */
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
- */
-#ifndef RFFTW_MPI_H
-#define RFFTW_MPI_H
-
-static char *SRCID_rfftw_mpi_h = "$Id$";
-
-#include <fftw_mpi.h>
-#include <rfftw.h>
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-/***********************************************************************/
-
-typedef struct {
- fftw_plan p_fft_x; /* plan for first dimension */
- rfftwnd_plan p_fft; /* plan for subsequent dimensions */
- transpose_mpi_plan p_transpose, p_transpose_inv;
- fftw_complex *work; /* extra workspace, if needed */
-} rfftwnd_mpi_plan_data;
-
-typedef rfftwnd_mpi_plan_data *rfftwnd_mpi_plan;
-
-extern rfftwnd_mpi_plan rfftwnd_mpi_create_plan(MPI_Comm comm,
- int rank, const int *n,
- fftw_direction dir,
- int flags);
-extern rfftwnd_mpi_plan rfftw2d_mpi_create_plan(MPI_Comm comm,
- int nx, int ny,
- fftw_direction dir, int flags);
-extern rfftwnd_mpi_plan rfftw3d_mpi_create_plan(MPI_Comm comm,
- int nx, int ny, int nz,
- fftw_direction dir, int flags);
-
-extern void rfftwnd_mpi_destroy_plan(rfftwnd_mpi_plan p);
-
-extern void rfftwnd_mpi_local_sizes(rfftwnd_mpi_plan p,
- int *local_nx,
- int *local_x_start,
- int *local_ny_after_transpose,
- int *local_y_start_after_transpose,
- int *total_local_size);
-
-extern void rfftwnd_mpi(rfftwnd_mpi_plan p,
- int n_fields,
- fftw_real *local_data, fftw_real *work,
- fftwnd_mpi_output_order output_order);
-
-/***********************************************************************/
-
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
-
-#endif /* RFFTW_MPI_H */
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
- */
-#ifndef RFFTW_MPI_THREADS_H
-#define RFFTW_MPI_THREADS_H
-
-static char *SRCID_rfftw_mpi_threads_h = "$Id$";
-
-#include "rfftw_mpi.h"
-#include "fftw_threads.h"
-#include "rfftw.h"
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-/***********************************************************************/
-
-extern void rfftwnd_mpi_threads(int nthreads,
- rfftwnd_mpi_plan p,
- int n_fields,
- fftw_real *local_data,
- fftw_real *work,
- fftwnd_mpi_output_order
- output_order);
-
-/***********************************************************************/
-
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
-
-#endif /* RFFTW_MPI_THREADS_H */
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
- */
-#ifndef RFFTW_THREADS_H
-#define RFFTW_THREADS_H
-
-static char *SRCID_rfftw_threads_h = "$Id$";
-
-#include "rfftw.h"
-#include "fftw_threads.h"
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-/******************** User Interface *********************/
-
-extern void rfftw_threads(int nthreads,
- fftw_plan plan, int howmany, fftw_real *in, int istride,
- int idist, fftw_real *out, int ostride, int odist);
-extern void rfftw_threads_one(int nthread, fftw_plan plan,
- fftw_real *in, fftw_real *out);
-
-extern void rfftwnd_threads_real_to_complex(int nthreads, fftwnd_plan p,
- int howmany,
- fftw_real *in,
- int istride, int idist,
- fftw_complex *out,
- int ostride, int odist);
-extern void rfftwnd_threads_complex_to_real(int nthreads, fftwnd_plan p,
- int howmany,
- fftw_complex *in,
- int istride, int idist,
- fftw_real *out,
- int ostride, int odist);
-extern void rfftwnd_threads_one_real_to_complex(int nthreads, fftwnd_plan p,
- fftw_real *in,
- fftw_complex *out);
-extern void rfftwnd_threads_one_complex_to_real(int nthreads, fftwnd_plan p,
- fftw_complex *in,
- fftw_real *out);
-
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
-
-#endif /* RFFTW_THREADS_H */
static char *SRCID_rmpbc_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) rmpbc.h 1.6 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_rwtop_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) rwtop.h 1.5 12/16/92"
#endif /* HAVE_IDENT */
static char *SRCID_sheader_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) sheader.h 1.4 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_shift_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) shift.h 1.6 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_shift_util_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <math.h>
#include "typedefs.h"
#include "complex.h"
static char *SRCID_sim_util_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) sim_util.h 1.20 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_smalloc_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) smalloc.h 1.14 11/23/92"
#endif /* HAVE_IDENT */
#ifndef _sortwater_h
#define _sortwater_h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include "typedefs.h"
extern void randwater(int astart,int nwater,int nwatom,
static char *SRCID_split_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) split.h 1.20 12/16/92"
#endif /* HAVE_IDENT */
static char *SRCID_statusio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) statusio.h 1.46 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_statutil_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef CPLUSPLUS
extern "C" {
#endif
static char *SRCID_steep_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) steep.h 1.6 03 Mar 1996"
#endif /* HAVE_IDENT */
static char *SRCID_strdb_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) strdb.h 1.9 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_string2_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) string2.h 1.13 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_struc2_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) struc2.h 1.2 15 Sep 1993"
#endif /* HAVE_IDENT */
static char *SRCID_superb_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) superb.h 1.7 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_symtab_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) symtab.h 1.6 12/16/92"
#endif /* HAVE_IDENT */
static char *SRCID_sync_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) sync.h 1.9 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_synclib_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) synclib.h 1.3 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_sysstuff_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) sysstuff.h 1.22 12/16/92"
#endif /* HAVE_IDENT */
static char *SRCID_systest_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) systest.h 1.3 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_tags_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) tags.h 1.3 11/23/92"
#endif /* HAVE_IDENT */
static char *SRCID_tgroup_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) tgroup.h 1.12 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_tpxio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef CPLUSPLUS
extern "C" {
#endif
static char *SRCID_transfer_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) transfer.h 1.6 11/23/92"
#endif /* HAVE_IDENT */
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://md.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * Green Red Orange Magenta Azure Cyan Skyblue
- */
-static char *SRCID_transpose_mpi_h = "$Id$";
-
-#ifndef TRANSPOSE_MPI_H
-#define TRANSPOSE_MPI_H
-
-#ifdef __cplusplus
-extern "C" {
-#endif /* __cplusplus */
-
-#include <mpi.h> /* need access to the MPI type constants */
-#include "fftw.h"
-
-/*********************** Transpose Element Type ************************/
-
-/* Here, we define the data type of the individual elements in the
- transposed array. */
-
-typedef fftw_real TRANSPOSE_EL_TYPE;
-
-/* We need to set the MPI type constant corresponding to the type
- TRANSPOSE_EL_TYPE. (MPI needs to know the data type in case it
- has to make translations on heterogeneous networks.) Possible
- type constants are MPI_DOUBLE, MPI_FLOAT, MPI_INT, MPI_LONG, ...
- see your MPI manual for more. */
-#ifdef DOUBLE
-#define MPI_TRANSPOSE_EL_TYPE_CONSTANT MPI_DOUBLE
-#else
-#define MPI_TRANSPOSE_EL_TYPE_CONSTANT MPI_FLOAT
-#endif
-
-/***********************************************************************/
-
-typedef struct {
- int block_num, dest_pe, send_size, recv_size;
-} transpose_mpi_block_dest;
-
-typedef struct {
- MPI_Comm comm;
- int n_pes, my_pe;
-
- int nx,ny,local_nx,local_ny;
-
- transpose_mpi_block_dest *block_dest;
- int num_blocks, block_size;
- int block_size_padded;
-
- int *perm_block_dest;
- int num_perm_blocks, perm_block_size;
-
- char *move;
- int move_size;
-} transpose_mpi_plan_struct;
-
-typedef transpose_mpi_plan_struct *transpose_mpi_plan;
-
-extern void transpose_mpi_get_local_size(int n, int my_pe, int n_pes,
- int *local_n, int *local_start);
-extern int transpose_mpi_get_local_storage_size(int nx, int ny,
- int my_pe, int n_pes);
-
-extern transpose_mpi_plan transpose_mpi_create_plan(int nx, int ny,
- MPI_Comm comm);
-extern void transpose_mpi_destroy_plan(transpose_mpi_plan p);
-
-extern void transpose_mpi(transpose_mpi_plan p,
- TRANSPOSE_EL_TYPE *local_data, int el_size);
-
-#ifdef __cplusplus
-} /* extern "C" */
-#endif /* __cplusplus */
-
-#endif /* TRANSPOSE_MPI_H */
static char *SRCID_trnio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
/**************************************************************
*
* These routines handle trj (trajectory) I/O, they read and
static char *SRCID_txtdump_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) txtdump.h 1.20 12/16/92"
#endif /* HAVE_IDENT */
static char *SRCID_typedefs_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef CPLUSPLUS
extern "C" {
#endif
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+include_HEADERS = \
+ atoms.h edsams.h forcerec.h ifunc.h \
+ mdatom.h nsborder.h simple.h block.h \
+ energy.h graph.h inputrec.h nblist.h \
+ nsgrid.h symtab.h commrec.h enums.h \
+ group.h ishift.h nbslist.h parm.h \
+ topology.h drblock.h filenm.h idef.h \
+ matrix.h nrnb.h pulls.h trx.h
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
enum {
eptAtom, eptNucleus, eptShell, eptBond, eptDummy, eptNR
};
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
int multinr[MAXNODES]; /* The indices for the multinode
* version. For n=0, the blocks run from 0
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
int nodeid,nnodes;
int left,right;
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
int ndr;
real *rav;
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
bool bEdsam; /* Do ED sampling? */
char *edinam; /* name of ED sampling input file */
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
real e; /* The current energy. */
double eav; /* The running average */
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
/* note: these enums should correspond to the names in gmxlib/names.c */
enum {
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
/* this enum should correspond to the array deffile in gmxlib/filenm.c */
enum {
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
enum { eNL_VDWQQ, eNL_VDW, eNL_QQ,
eNL_VDWQQ_FREE, eNL_VDW_FREE, eNL_QQ_FREE,
eNL_VDWQQ_SOLMNO, eNL_VDW_SOLMNO, eNL_QQ_SOLMNO,
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include "fatal.h"
typedef struct {
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
enum { egCOUL, egLJ, egBHAM, egLR, egLJLR, egCOUL14, egLJ14, egNR };
typedef struct {
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifndef _idef_h
#define _idef_h
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifndef _ifunc_h
#define _ifunc_h
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
int n; /* Number of terms */
real *a; /* Coeffients (V / nm ) */
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#define D_BOX_Z 1
#ifdef ALLOW_OFFDIAG_LT_HALFDIAG
#define D_BOX_Y 2
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
real r,g,b;
} t_rgb;
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifndef _mdatom_h
#define _mdatom_h
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
int il_code; /* Code that determines the innerloop */
/* corresponding to codes in nrnb.h */
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
int nr; /* Row- and Column-length of vectors */
int nrfp; /* Number of force parameters */
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
/* Oh my god, it's full of loops!
* There are quite a few innerloops, so they have been given numbers
* instead of names. The first figure is the coulomb alternative, the
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
int nodeid; /* Node id */
int nnodes; /* The number of nodes */
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
int nr; /* Total number of charge groups */
int nrx,nry,nrz; /* The dimension of the grid */
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct
{
t_inputrec ir; /* input rec, see typedefs.h */
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef enum {eStart, eAfm, eConstraint, eUmbrella, eTest} t_runtype;
typedef enum {eCom, eComT0, eDyn, eDynT0} t_reftype;
#ifndef _simple_h
#define _simple_h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef CPLUSPLUS
extern "C" {
#endif
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct symbuf {
int bufsize;
char **buf;
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
typedef struct {
char **name; /* Name of the topology */
t_idef idef; /* The interaction function definition */
* Green Red Orange Magenta Azure Cyan Skyblue
*/
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
/* The bools indicate whether a field was read from the trajectory.
* Do not try to use a pointer when its bool is FALSE, as memory might
* not be allocated.
static char *SRCID_update_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) update.h 1.33 24 Jun 1996"
#endif /* HAVE_IDENT */
static char *SRCID_utils_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) utils.h 1.11 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_vcm_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) vcm.h 1.9 9/29/97"
#endif /* HAVE_IDENT */
static char *SRCID_vec_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) vec.h 1.8 12/16/92"
#endif /* HAVE_IDENT */
#include "sysstuff.h"
#include "macros.h"
#include "fatal.h"
-#include "x86cpu.h"
-
-#ifdef _lnx_
-#define gmx_inline inline
-#else
-#define gmx_inline
-#endif
+#include "x86_cpu.h"
#define EXP_LSB 0x00800000
#define EXP_MASK 0x7f800000
-#ifdef GMX_INVSQRT
+#ifdef SOFTWARE_SQRT
extern const unsigned int cinvsqrtexptab[];
extern const unsigned int cinvsqrtfracttab[];
#endif
-#ifdef GMX_RECIP
+#ifdef SOFTWARE_RECIP
extern const unsigned int crecipexptab[];
extern const unsigned int crecipfracttab[];
#endif
} t_convert;
-#ifdef GMX_INVSQRT
-static gmx_inline real invsqrt(float x)
+#ifdef SOFTWARE_INVSQRT
+static inline real invsqrt(float x)
{
const real half=0.5;
const real three=3.0;
-static gmx_inline void vecinvsqrt(real in[],real out[],int n)
+static inline void vecinvsqrt(real in[],real out[],int n)
{
#ifdef INVSQRT_DONE
const real half=0.5;
#endif
#endif /* INVSQRT_DONE */
int i;
-
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
+
+#ifndef DOUBLE
+#ifdef USE_3DNOW
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
vecinvsqrt_3dnow(in,out,n);
- else if(x86cpu==X86_SSE && !((unsigned long int)in & 0x1f) && !((unsigned long int)out & 0x1f)) /* SSE data must be cache aligned */
+ else
+#endif
+#ifdef USE_SSE
+ if((cpu_capabilities & X86_SSE_SUPPORT) && !((unsigned long int)in & 0x1f) && !((unsigned long int)out & 0x1f)) /* SSE data must be cache aligned */
vecinvsqrt_sse(in,out,n);
else
#endif /* no x86 optimizations */
+#endif /* not double */
#ifdef INVSQRT_DONE
for(i=0;i<n;i++) {
x=in[i];
#endif /* INVSQRT_DONE */
}
-#ifdef GMX_RECIP
-static gmx_inline real recip(float x)
+#ifdef SOFTWARE_RECIP
+static inline real recip(float x)
{
const real two=2.0;
t_convert result,bit_pattern;
#endif
-static gmx_inline void vecrecip(real in[],real out[],int n)
+static inline void vecrecip(real in[],real out[],int n)
{
-#ifdef GMX_RECIP
+#ifdef SOFTWARE_RECIP
const real two=2.0;
t_convert result,bit_pattern;
unsigned int exp,fract;
#ifdef DOUBLE
real y;
#endif
-#endif /* GMX_RECIP */
+#endif /* SOFTWARE_RECIP */
int i;
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
+#ifndef DOUBLE
+#ifdef USE_3DNOW
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
vecrecip_3dnow(in,out,n);
- else if(x86cpu==X86_SSE && !((unsigned long int)in & 0x1f) && !((unsigned long int)out & 0x1f)) /* SSE data must be cache aligned */
+ else
+#endif
+#ifdef USE_SSE
+ if((cpu_capabilities & X86_SSE_SUPPORT) && !((unsigned long int)in & 0x1f) && !((unsigned long int)out & 0x1f)) /* SSE data must be cache aligned */
vecrecip_sse(in,out,n);
else
#endif /* no x86 optimizations */
-#ifdef GMX_RECIP
+#endif /* not double */
+#ifdef SOFTWARE_RECIP
for(i=0;i<n;i++) {
x=in[i];
bit_pattern.fval=x;
#else /* No gmx recip */
for(i=0;i<n;i++)
out[i]=1.0f/(in[i]);
-#endif /* GMX_RECIP */
+#endif /* SOFTWARE_RECIP */
}
-static gmx_inline real sqr(real x)
+static inline real sqr(real x)
{
return (x*x);
}
-static gmx_inline void rvec_add(const rvec a,const rvec b,rvec c)
+static inline void rvec_add(const rvec a,const rvec b,rvec c)
{
real x,y,z;
c[ZZ]=z;
}
-static gmx_inline void rvec_inc(rvec a,rvec b)
+static inline void rvec_inc(rvec a,rvec b)
{
real x,y,z;
a[ZZ]=z;
}
-static gmx_inline void rvec_sub(const rvec a,const rvec b,rvec c)
+static inline void rvec_sub(const rvec a,const rvec b,rvec c)
{
real x,y,z;
c[ZZ]=z;
}
-static gmx_inline void rvec_dec(rvec a,rvec b)
+static inline void rvec_dec(rvec a,rvec b)
{
real x,y,z;
a[ZZ]=z;
}
-static gmx_inline void copy_rvec(const rvec a,rvec b)
+static inline void copy_rvec(const rvec a,rvec b)
{
b[XX]=a[XX];
b[YY]=a[YY];
b[ZZ]=a[ZZ];
}
-static gmx_inline void copy_ivec(const ivec a,ivec b)
+static inline void copy_ivec(const ivec a,ivec b)
{
b[XX]=a[XX];
b[YY]=a[YY];
b[ZZ]=a[ZZ];
}
-static gmx_inline void ivec_sub(const ivec a,const ivec b,ivec c)
+static inline void ivec_sub(const ivec a,const ivec b,ivec c)
{
int x,y,z;
c[ZZ]=z;
}
-static gmx_inline void copy_mat(matrix a,matrix b)
+static inline void copy_mat(matrix a,matrix b)
{
copy_rvec(a[XX],b[XX]);
copy_rvec(a[YY],b[YY]);
copy_rvec(a[ZZ],b[ZZ]);
}
-static gmx_inline void svmul(real a,rvec v1,rvec v2)
+static inline void svmul(real a,rvec v1,rvec v2)
{
v2[XX]=a*v1[XX];
v2[YY]=a*v1[YY];
v2[ZZ]=a*v1[ZZ];
}
-static gmx_inline real distance2(rvec v1, rvec v2)
+static inline real distance2(rvec v1, rvec v2)
{
return sqr(v2[XX]-v1[XX]) + sqr(v2[YY]-v1[YY]) + sqr(v2[ZZ]-v1[ZZ]);
}
-static gmx_inline void clear_rvec(rvec a)
+static inline void clear_rvec(rvec a)
{
const real nul=0.0;
a[XX]=a[YY]=a[ZZ]=nul;
}
-static gmx_inline void clear_rvecs(int n,rvec v[])
+static inline void clear_rvecs(int n,rvec v[])
{
int i;
clear_rvec(v[i]);
}
-static gmx_inline void clear_mat(matrix a)
+static inline void clear_mat(matrix a)
{
const real nul=0.0;
a[ZZ][XX]=a[ZZ][YY]=a[ZZ][ZZ]=nul;
}
-static gmx_inline real iprod(rvec a,rvec b)
+static inline real iprod(rvec a,rvec b)
{
return (a[XX]*b[XX]+a[YY]*b[YY]+a[ZZ]*b[ZZ]);
}
-static gmx_inline real iiprod(ivec a,ivec b)
+static inline real iiprod(ivec a,ivec b)
{
return (a[XX]*b[XX]+a[YY]*b[YY]+a[ZZ]*b[ZZ]);
}
-static gmx_inline real norm2(rvec a)
+static inline real norm2(rvec a)
{
return a[XX]*a[XX]+a[YY]*a[YY]+a[ZZ]*a[ZZ];
}
-static gmx_inline real norm(rvec a)
+static inline real norm(rvec a)
{
return sqrt(a[XX]*a[XX]+a[YY]*a[YY]+a[ZZ]*a[ZZ]);
}
-static gmx_inline real cos_angle(rvec a,rvec b)
+static inline real cos_angle(rvec a,rvec b)
{
/*
* ax*bx + ay*by + az*bz
return cos;
}
-static gmx_inline real cos_angle_no_table(rvec a,rvec b)
+static inline real cos_angle_no_table(rvec a,rvec b)
{
/* This version does not need the invsqrt lookup table */
real cos;
return cos;
}
-static gmx_inline void oprod(rvec a,rvec b,rvec c)
+static inline void oprod(rvec a,rvec b,rvec c)
{
c[XX]=a[YY]*b[ZZ]-a[ZZ]*b[YY];
c[YY]=a[ZZ]*b[XX]-a[XX]*b[ZZ];
c[ZZ]=a[XX]*b[YY]-a[YY]*b[XX];
}
-static gmx_inline void mmul(matrix a,matrix b,matrix dest)
+static inline void mmul(matrix a,matrix b,matrix dest)
{
dest[XX][XX]=a[XX][XX]*b[XX][XX]+a[XX][YY]*b[YY][XX]+a[XX][ZZ]*b[ZZ][XX];
dest[YY][XX]=a[YY][XX]*b[XX][XX]+a[YY][YY]*b[YY][XX]+a[YY][ZZ]*b[ZZ][XX];
dest[ZZ][ZZ]=a[ZZ][XX]*b[XX][ZZ]+a[ZZ][YY]*b[YY][ZZ]+a[ZZ][ZZ]*b[ZZ][ZZ];
}
-static gmx_inline void transpose(matrix src,matrix dest)
+static inline void transpose(matrix src,matrix dest)
{
dest[XX][XX]=src[XX][XX];
dest[YY][XX]=src[XX][YY];
dest[ZZ][ZZ]=src[ZZ][ZZ];
}
-static gmx_inline void tmmul(matrix a,matrix b,matrix dest)
+static inline void tmmul(matrix a,matrix b,matrix dest)
{
/* Computes dest=mmul(transpose(a),b,dest) - used in do_pr_pcoupl */
dest[XX][XX]=a[XX][XX]*b[XX][XX]+a[YY][XX]*b[YY][XX]+a[ZZ][XX]*b[ZZ][XX];
dest[ZZ][ZZ]=a[XX][ZZ]*b[XX][ZZ]+a[YY][ZZ]*b[YY][ZZ]+a[ZZ][ZZ]*b[ZZ][ZZ];
}
-static gmx_inline void mtmul(matrix a,matrix b,matrix dest)
+static inline void mtmul(matrix a,matrix b,matrix dest)
{
/* Computes dest=mmul(a,transpose(b),dest) - used in do_pr_pcoupl */
dest[XX][XX]=a[XX][XX]*b[XX][XX]+a[XX][YY]*b[XX][YY]+a[XX][ZZ]*b[XX][ZZ];
dest[ZZ][ZZ]=a[ZZ][XX]*b[ZZ][XX]+a[ZZ][YY]*b[ZZ][YY]+a[ZZ][ZZ]*b[ZZ][ZZ];
}
-static gmx_inline real det(matrix a)
+static inline real det(matrix a)
{
return ( a[XX][XX]*(a[YY][YY]*a[ZZ][ZZ]-a[ZZ][YY]*a[YY][ZZ])
-a[YY][XX]*(a[XX][YY]*a[ZZ][ZZ]-a[ZZ][YY]*a[XX][ZZ])
+a[ZZ][XX]*(a[XX][YY]*a[YY][ZZ]-a[YY][YY]*a[XX][ZZ]));
}
-static gmx_inline void m_add(matrix a,matrix b,matrix dest)
+static inline void m_add(matrix a,matrix b,matrix dest)
{
dest[XX][XX]=a[XX][XX]+b[XX][XX];
dest[XX][YY]=a[XX][YY]+b[XX][YY];
dest[ZZ][ZZ]=a[ZZ][ZZ]+b[ZZ][ZZ];
}
-static gmx_inline void m_sub(matrix a,matrix b,matrix dest)
+static inline void m_sub(matrix a,matrix b,matrix dest)
{
dest[XX][XX]=a[XX][XX]-b[XX][XX];
dest[XX][YY]=a[XX][YY]-b[XX][YY];
dest[ZZ][ZZ]=a[ZZ][ZZ]-b[ZZ][ZZ];
}
-static gmx_inline void msmul(matrix m1,real r1,matrix dest)
+static inline void msmul(matrix m1,real r1,matrix dest)
{
dest[XX][XX]=r1*m1[XX][XX];
dest[XX][YY]=r1*m1[XX][YY];
dest[ZZ][ZZ]=r1*m1[ZZ][ZZ];
}
-static gmx_inline void m_inv(matrix src,matrix dest)
+static inline void m_inv(matrix src,matrix dest)
{
const real smallreal = 1.0e-18;
const real largereal = 1.0e18;
dest[ZZ][ZZ]= c*(src[XX][XX]*src[YY][YY]-src[YY][XX]*src[XX][YY]);
}
-static gmx_inline void mvmul(matrix a,rvec src,rvec dest)
+static inline void mvmul(matrix a,rvec src,rvec dest)
{
dest[XX]=a[XX][XX]*src[XX]+a[XX][YY]*src[YY]+a[XX][ZZ]*src[ZZ];
dest[YY]=a[YY][XX]*src[XX]+a[YY][YY]*src[YY]+a[YY][ZZ]*src[ZZ];
dest[ZZ]=a[ZZ][XX]*src[XX]+a[ZZ][YY]*src[YY]+a[ZZ][ZZ]*src[ZZ];
}
-static gmx_inline void unitv(rvec src,rvec dest)
+static inline void unitv(rvec src,rvec dest)
{
real linv;
dest[ZZ]=linv*src[ZZ];
}
-static gmx_inline void unitv_no_table(rvec src,rvec dest)
+static inline void unitv_no_table(rvec src,rvec dest)
{
real linv;
dest[ZZ]=linv*src[ZZ];
}
-static gmx_inline real trace(matrix m)
+static inline real trace(matrix m)
{
return (m[XX][XX]+m[YY][YY]+m[ZZ][ZZ]);
}
-static gmx_inline real _divide(real a,real b,char *file,int line)
+static inline real _divide(real a,real b,char *file,int line)
{
if (b == 0.0)
fatal_error(0,"Dividing by zero, file %s, line %d",file,line);
return a/b;
}
-static gmx_inline int _mod(int a,int b,char *file,int line)
+static inline int _mod(int a,int b,char *file,int line)
{
if (b == 0)
fatal_error(0,"Modulo zero, file %s, line %d",file,line);
static char *SRCID_viewit_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "$Id$"
#endif /* HAVE_IDENT */
static char *SRCID_vveclib_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) vveclib.h 1.11 2/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_wgms_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <stdio.h>
#include "typedefs.h"
static char *SRCID_wman_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) wman.h 1.11 10/2/97"
#endif /* HAVE_IDENT */
static char *SRCID_writeps_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) writeps.h 1.10 8/25/97"
#endif /* HAVE_IDENT */
+#ifndef _x86_3dnow_h
+#define _x86_3dnow_h
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+#if (defined USE_3DNOW && !defined DOUBLE)
+
+void check3dnow();
+void vecinvsqrt_3dnow(float in[],float out[],int n);
+void vecrecip_3dnow(float in[],float out[],int n);
+
+
void inl0100_3dnow(int nri,int iinr[],int jindex[],int jjnr[],int shift[],
float shiftvec[],float fshift[],int gid[],float pos[],
float faction[],int type[],int ntype,float nbfp[],
float tabscale,float VFtab[]);
+#endif
+#endif
+
--- /dev/null
+#ifndef _x86_cpu_h
+#define _x86_cpu_h
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+extern int cpu_capabilities;
+#define UNKNOWN_CPU 0
+
+#if (defined USE_SSE || defined USE_3DNOW)
+
+#define VENDOR_AMD 0x68747541
+#define VENDOR_INTEL 0x756e6547
+#define FLAGS_SUPPORT_SSE 0x02000000
+#define FLAGS_SUPPORT_EXT_3DNOW 0xc0000000
+/* Flags for x86 and future processor capabilities */
+#define X86_CPU 1
+#define X86_SSE_SUPPORT (1 << 1)
+#define X86_3DNOW_SUPPORT (1 << 2)
+
+#include <x86_sse.h>
+#include <x86_3dnow.h>
+
+int check_x86cpu(FILE *log);
+
+/* Assembly routines in gmxcpuid.s */
+void x86_cpuid(int,unsigned long *,unsigned long *,unsigned long *,unsigned long *);
+
+#endif
+
+#endif
+#ifndef _x86_sse_h
+#define _x86_sse_h
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+#if (defined USE_SSE && !defined DOUBLE)
+
+void checksse();
+void vecinvsqrt_sse(float in[],float out[],int n);
+void vecrecip_sse(float in[],float out[],int n);
+
void inl0100_sse(int nri,int iinr[],int jindex[],int jjnr[],int shift[],
float shiftvec[],float fshift[],int gid[],float pos[],
float faction[],int type[],int ntype,float nbfp[],
int type[],int ntype,float nbfp[],float Vnb[],
float tabscale,float VFtab[]);
+#endif
+#endif
+
+++ /dev/null
-#define VENDOR_AMD 0x68747541
-#define VENDOR_INTEL 0x756e6547
-#define FLAGS_SUPPORT_SSE 0x02000000
-#define FLAGS_SUPPORT_EXT_3DNOW 0xc0000000
-
-/* Assembly routines in gmxcpuid.s */
-void gmxcpuid(int,unsigned long *,unsigned long *,unsigned long *,unsigned long *);
-void checksse();
-void check3dnow();
-
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
-void vecinvsqrt_3dnow(float in[],float out[],int n);
-void vecrecip_3dnow(float in[],float out[],int n);
-void vecinvsqrt_sse(float in[],float out[],int n);
-void vecrecip_sse(float in[],float out[],int n);
-#endif
-
-/* Special optimization levels returned by check_x86cpu */
-#define X86_NOTCHECKED -1
-#define X86_NOOPT 0
-#define X86_SSE 1
-#define X86_3DNOW 2
-
-int check_x86cpu(FILE *log);
-
-/* this is a global variable in fnbf.m4, to be accessible
- * in the vecinvsqrt routines
- */
-extern int x86cpu;
static char *SRCID_xdrf_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef USE_XDR
-#ifdef _lnx_
+#ifdef __GNUC__
#ifdef FALSE
#undef FALSE
#endif
#undef TRUE
#endif
#endif
-#ifdef _pgi_
+
+#ifdef __PGI /*Portland group compiler*/
#define int64_t long long
#endif
static char *SRCID_xtcio_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef CPLUSPLUS
extern "C" {
#endif
static char *SRCID_xvgr_h = "$Id$";
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#ifdef HAVE_IDENT
#ident "@(#) xvgr.h 1.8 7/28/97"
#endif /* HAVE_IDENT */
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+SUBDIRS = . gif online
+
+htmldir = ${prefix}/html
+
+html_DATA = gmxfaq.html online.html
+
+EXTRA_DIST = ${html_DATA}
+
+CLEANFILES = *~ \\\#*
+
+
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+gifdir = ${prefix}/html/gif
+
+gif_DATA = \
+ annealdn.gif features.gif \
+ flow_leftrightup.gif flow_vrule.gif \
+ annealup.gif flow_down.gif \
+ flow_leftup.gif links.gif \
+ articles.gif flow_downleft.gif \
+ flow_right+left.gif mail.gif \
+ bench.gif flow_hline.gif \
+ flow_right.gif manual.gif \
+ charts_down.gif flow_left.gif \
+ flow_rightleftdown.gif rainbow.gif \
+ charts_up.gif flow_leftright.gif \
+ flow_uprightleft.gif software.gif \
+ faq.gif flow_leftrightdown.gif \
+ flow_vline.gif topologies.gif
+
+EXTRA_DIST = ${gif_DATA}
+
+CLEANFILES = *~ \\\#*
+
+
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+onlinedir = ${prefix}/html/online
+
+online_DATA = \
+ edo.html g96.html log.html \
+ options.html tpa.html xvg.html \
+ edr.html m2p.html getting_started.html \
+ m2p.html out.html tpb.html \
+ ene.html gro.html map.html \
+ par.html tpr.html eps.html \
+ hat.html mdp.html pdb.html \
+ trj.html dat.html files.html \
+ mdp_opt.html rtp.html include_bot.html \
+ trr.html dlg.html flow.html \
+ mtx.html tex.html include_top.html \
+ xpm.html edi.html g87.html \
+ itp.html ndx.html top.html \
+ xtc.html
+
+EXTRA_DIST = ${online_DATA}
+
+CLEANFILES = *~ \\\#*
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+templatedir = ${prefix}/share/template
+
+# we don't build this, it's meant for the user to play with.
+# Since a Makefile is used for the installation, we call the
+# template makefile Template.mak, and rename it to Makefile when installing.
+
+template_DATA = template.c README
+
+EXTRA_DIST = Template.mak.in ${template_DATA}
+
+install-hook:
+ $(mkinstalldirs) $(DESTDIR)$(templatedir)
+ echo "$(INSTALL_DATA) Template.mak $(DESTDIR)$(templatedir)/Makefile"; \
+ $(INSTALL_DATA) Template.mak $(DESTDIR)$(templatedir)/Makefile;
+
+
+CLEANFILES = *~ \\\#* *.ene *.hat *.tr? *.xtc *.edr *.ene *.xvg core *.log mdout.mdp *.tp? mon.out confout.gro deshuf.ndx output.* *.gz *.ps *.dat *.g87 *~ \\\#* Template.mak
+
+
--- /dev/null
+Once installed, this directory contains a Makefile and
+a small program that you could use as a template when
+writing your own analysis software.
+
+The Makefile is created during the configuration phase
+to contain the correct paths and libraries to the most
+recent installation.
+It might be a good idea to make a copy if you plan to
+compile for several architectures.
+
+----------------------------------------------------------
+If you are looking in the distribution directory the
+there will be a Makefile.am which automake uses to
+create a Makefile.in which in turn is converted to
+a Makefile by the configure script. Note that this is
+NOT the template makefile - it is called Template.mak,
+but is renamed when then
+
+
+You should NOT touch or copy Makefile.in unless you
+really know what you are doing - it is a template file
+used by the configure script to create the real Makefile.
--- /dev/null
+# Generated automatically from Makefile.in by configure.
+#
+# This is a Gromacs 3.0 template makefile for your own utility programs.
+# To enable
+# the options in this file.
+#
+# Copy this file to whatever directory you are using for your own
+# software and add more targets like the one below
+#
+# If you are using gmake it is relatively straightforward to add
+# an include based on environment variables (like previous Gromacs versions)
+# to select compiler flags and stuff automatically, but below it is static:
+#
+
+# Variables set by the configuration script:
+prefix = @prefix@
+exec_prefix = @exec_prefix@
+LDFLAGS = @LDFLAGS@
+CFLAGS = @CFLAGS@
+CPPFLAGS = @CPPFLAGS@
+INCLUDES = -I@includedir@ @INCLUDES@
+LIBS = -L@libdir@ -lmdXXX_SUFFIX_XXX -lgmxXXX_SUFFIX_XXX @LIBS@
+CC = @CC@
+LD = $CC
+
+# The real make targets - note that most make programs support
+# the shortcut $^ instead of listing all object files a second
+# time, but we cannot count on it...
+
+template: template.o
+ $(LD) $(LDFLAGS) -o $@ template.o $(LIBS)
--- /dev/null
+/*
+ * $Id$
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 1.6
+ *
+ * Copyright (c) 1991-1997
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * Please refer to:
+ * GROMACS: A message-passing parallel molecular dynamics implementation
+ * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
+ * Comp. Phys. Comm. 91, 43-56 (1995)
+ *
+ * Also check out our WWW page:
+ * http://rugmd0.chem.rug.nl/~gmx
+ * or e-mail to:
+ * gromacs@chem.rug.nl
+ *
+ * And Hey:
+ * GROningen MAchine for Chemical Simulation
+ */
+static char *SRCID_template_c = "$Id$";
+#include "statutil.h"
+#include "typedefs.h"
+#include "smalloc.h"
+#include "vec.h"
+#include "copyrite.h"
+#include "statutil.h"
+#include "tpxio.h"
+
+
+int main(int argc,char *argv[])
+{
+ static char *desc[] = {
+ "this is a small test program meant to serve as a template ",
+ "when writing your own analysis tools. The advantage of ",
+ "using gromacs for this is that you have access to all ",
+ "information in the topology, and your program will be ",
+ "able to handle all types of coordinates and trajectory ",
+ "files supported by gromacs. Go ahead and try it! ",
+ "This test version just writes the coordinates of an ",
+ "arbitrary atom to standard out for each frame. You can ",
+ "select which atom you want to examine with the -n argument."
+ };
+
+ static int n=1;
+
+ /* Extra arguments - but note how you always get the begin/end
+ * options when running the program, without mentioning them here!
+ */
+
+ t_pargs pa[] = {
+ { "-n", FALSE, etINT, {&n},
+ "Plot data for atom number n (starting on 1)"
+ }
+ };
+
+ t_topology top;
+ char title[STRLEN];
+ t_trxframe fr;
+ rvec *xtop;
+ matrix box;
+ int status,flags;
+
+ t_filenm fnm[] = {
+ { efTPS, NULL, NULL, ffREAD }, /* this is for the topology */
+ { efTRX, "-f", NULL, ffREAD } /* and this for the trajectory */
+ };
+
+#define NFILE asize(fnm)
+
+ CopyRight(stderr,argv[0]);
+
+ /* This is the routine responsible for adding default options,
+ * calling the X/motif interface, etc. */
+ parse_common_args(&argc,argv,PCA_CAN_TIME | PCA_CAN_VIEW,TRUE,
+ NFILE,fnm,asize(pa),pa,asize(desc),desc,0,NULL);
+
+ /* We don't need any topology information to write the coordinates,
+ * but to show how it works we start by writing the name and
+ * charge of the selected atom. It returns a boolean telling us
+ * whether the topology was found and could be read
+ */
+
+ read_tps_conf(ftp2fn(efTPS,NFILE,fnm),title,&top,&xtop,NULL,box,TRUE);
+ sfree(xtop);
+
+ n=n-1; /* Our enumeration started on 1, but C starts from 0 */
+ /* check that this atom exists */
+ if(n<0 || n>(top.atoms.nr))
+ {
+ printf("Error: Atom number %d is out of range.\n",n);
+ exit(1);
+ }
+
+ printf("Atom name: %s\n",*(top.atoms.atomname[n]));
+ printf("Atom charge: %f\n",top.atoms.atom[n].q);
+
+ /* The first time we read data is a little special */
+ read_first_frame(&status,ftp2fn(efTRX,NFILE,fnm),&fr,flags);
+
+ /* This is the main loop over frames */
+ do {
+ /* coordinates are available in the vector fr.x
+ * you can find this and all other structures in
+ * the types directory under the gromacs include dir.
+ */
+ printf("Coordinates at t=%8.3f : %8.5f %8.5f %8.5f\n",fr.time,fr.x[n][XX],fr.x[n][YY],fr.x[n][ZZ]);
+ } while(read_next_frame(status,&fr));
+
+ thanx(stderr);
+
+ return 0;
+}
+
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+topoldir = ${prefix}/top
+
+topol_DATA = \
+ FF.dat ffgmx.itp ffgmxnb.itp ffgmxbon.itp \
+ ffgmx.atp ffgmx.hdb ffgmx.n2t ffgmx.rtp \
+ ffgmx-c.tdb ffgmx-n.tdb ffgmx2.itp ffgmx2nb.itp \
+ ffgmx2bon.itp ffgmx2.atp ffgmx2.hdb ffgmx2.rtp \
+ ffgmx2-c.tdb ffgmx2-n.tdb ffG43a1.itp ffG43a1nb.itp \
+ ffG43a1bon.itp ffG43a1.atp ffG43a1.hdb ffG43a1.rtp \
+ ffG43a1-c.tdb ffG43a1-n.tdb ffG43a2.itp ffG43a2nb.itp \
+ ffG43a2bon.itp ffG43a2.atp ffG43a2.hdb ffG43a2.rtp \
+ ffG43a2-c.tdb ffG43a2-n.tdb ffG43b1.itp ffG43b1nb.itp \
+ ffG43b1bon.itp ffG43b1.atp ffG43b1.hdb ffG43b1.rtp \
+ ffG43b1-c.tdb ffG43b1-n.tdb \
+ 1mlg.itp 2mlg.itp benzamide.itp bondadd.itp \
+ buck.itp decane.itp dlg.itp dmso.itp \
+ fa.itp ff_dum.itp flexspc.itp flexspce.itp \
+ flexwat-ferguson.itp h2p4o13.itp h2p8o25.itp \
+ h2po4.itp ions.itp methanol.itp spc.itp \
+ spce.itp tfe.itp tip3pgmx.itp tip4pgmx.itp \
+ urea.itp \
+ dec50.gro dmso.gro spc216.gro tip4p.gro \
+ urea+h2o.gro \
+ aminoacids.dat atommass.dat bromacs.dat ca-shift.dat \
+ cb-shift.dat citeit.dat co-shift.dat edissoc.dat \
+ gurgle.dat ha-shift.dat links.dat phbres.dat \
+ random.dat refi_aa.dat specbond.dat surface.dat \
+ vdwradii.dat xlateat.dat \
+ export.dlg bonds.dlg ss.map ps.m2p
+
+EXTRA_DIST = ${topol_DATA}
+
+CLEANFILES = *~ \\\#*
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+SUBDIRS = nmr1 nmr2 speptide water gmxdemo template
+
+tutordir = ${prefix}/share/tutor
+
+tutor_SCRIPTS = cleanit
+
+EXTRA_DIST = ${tutor_SCRIPTS}
+
+CLEANFILES = *~ \\\#*
+
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+gmxdemodir = ${prefix}/share/tutor/gmxdemo
+
+gmxdemo_DATA = cpeptide.pdb
+gmxdemo_SCRIPTS = demo
+
+EXTRA_DIST = ${gmxdemo_DATA} ${gmxdemo_SCRIPTS}
+
+CLEANFILES = *~ \\\#* *.ene *.hat *.tr? *.xtc *.edr *.ene *.xvg core *.log mdout.mdp *.tp? mon.out confout.gro deshuf.ndx output.* *.gz *.ps *.dat *.g87 *~ \\\#*
+
+
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+nmr1dir = ${prefix}/share/tutor/nmr1
+
+nmr1_DATA = conf.gro grompp.mdp pep.pdb topol.top
+
+EXTRA_DIST = ${nmr1_DATA}
+
+CLEANFILES = *~ \\\#* *.ene *.hat *.tr? *.xtc *.edr *.ene *.xvg core *.log mdout.mdp *.tp? mon.out confout.gro deshuf.ndx output.* *.gz *.ps *.dat *.g87 *~ \\\#*
+
+
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+nmr2dir = ${prefix}/share/tutor/nmr2
+
+nmr2_DATA = conf.gro genconf.gcp grompp.mdp pep.pdb topol.top
+
+EXTRA_DIST = ${nmr2_DATA}
+
+CLEANFILES = *~ \\\#* *.ene *.hat *.tr? *.xtc *.edr *.ene *.xvg core *.log mdout.mdp *.tp? mon.out confout.gro deshuf.ndx output.* *.gz *.ps *.dat *.g87 *~ \\\#*
+
+
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+speptidedir = ${prefix}/share/tutor/speptide
+
+speptide_DATA = em.mdp full.mdp pr.mdp speptide.pdb
+
+EXTRA_DIST = ${speptide_DATA}
+
+CLEANFILES = *~ \\\#* *.ene *.hat *.tr? *.xtc *.edr *.ene *.xvg core *.log mdout.mdp *.tp? mon.out confout.gro deshuf.ndx output.* *.gz *.ps *.dat *.g87 *~ \\\#*
+
+
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+waterdir = ${prefix}/share/tutor/water
+
+water_DATA = oxygen.ndx spc216.gro spc216.pdb water.mdp water.top
+
+EXTRA_DIST = ${water_DATA}
+
+CLEANFILES = *~ \\\#* *.ene *.hat *.tr? *.xtc *.edr *.ene *.xvg core *.log mdout.mdp *.tp? mon.out confout.gro deshuf.ndx output.* *.gz *.ps *.dat *.g87 *~ \\\#*
+
+
-#!gmake
+# Generated automatically from Makefile.in by configure.
+# Makefile.in generated automatically by automake 1.4d from Makefile.am
+
+# Copyright 1994, 1995, 1996, 1997, 1998, 1999, 2000, 2001
+# Free Software Foundation, Inc.
+# This Makefile.in is free software; the Free Software Foundation
+# gives unlimited permission to copy and/or distribute it,
+# with or without modifications, as long as this notice is preserved.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY, to the extent permitted by law; without
+# even the implied warranty of MERCHANTABILITY or FITNESS FOR A
+# PARTICULAR PURPOSE.
+
+SHELL = /bin/sh
+
+srcdir = .
+top_srcdir = ..
+prefix = /usr/local/gromacs
+exec_prefix = ${prefix}
+
+bindir = ${exec_prefix}/bin/i686-pc-linux-gnu
+sbindir = ${exec_prefix}/sbin
+libexecdir = ${exec_prefix}/libexec
+datadir = ${prefix}/share
+sysconfdir = ${prefix}/etc
+sharedstatedir = ${prefix}/com
+localstatedir = ${prefix}/var
+libdir = ${exec_prefix}/lib/i686-pc-linux-gnu
+infodir = ${prefix}/info
+mandir = ${prefix}/man
+includedir = ${prefix}/include
+oldincludedir = /usr/include
+
+pkgdatadir = $(datadir)/gromacs
+pkglibdir = $(libdir)/gromacs
+pkgincludedir = $(includedir)/gromacs
+
+top_builddir = ..
+
+ACLOCAL = ${SHELL} /usr/local/gromacs/cvs/gmx/config/missing --run aclocal
+AUTOCONF = ${SHELL} /usr/local/gromacs/cvs/gmx/config/missing --run autoconf
+AUTOMAKE = ${SHELL} /usr/local/gromacs/cvs/gmx/config/missing --run automake
+AUTOHEADER = ${SHELL} /usr/local/gromacs/cvs/gmx/config/missing --run autoheader
+
+INSTALL = /usr/bin/install -c
+INSTALL_PROGRAM = ${INSTALL}
+INSTALL_DATA = ${INSTALL} -m 644
+INSTALL_SCRIPT = ${INSTALL_PROGRAM}
+INSTALL_STRIP_FLAG =
+INSTALL_HEADER = $(INSTALL_DATA)
+transform = s,x,x,
+
+NORMAL_INSTALL = :
+PRE_INSTALL = :
+POST_INSTALL = :
+NORMAL_UNINSTALL = :
+PRE_UNINSTALL = :
+POST_UNINSTALL = :
+
+
+host_alias = i686-pc-linux-gnu
+host_triplet = i686-pc-linux-gnu
+AMDEP =
+AMTAR = ${SHELL} /usr/local/gromacs/cvs/gmx/config/missing --run tar
+AWK = gawk
+AXP_ASM_OBJ =
+BUILD_CC = cc
+CC = cc
+CPP = cc -E
+DEPDIR = .deps
+F77 =
+FLIBS =
+IDENT = /usr/bin/ident
+INCLUDES = -I/usr/X11R6/include
+INNER_C_OBJ = ${inner_c_obj}
+INNER_F77_OBJ =
+MAKEINFO = ${SHELL} /usr/local/gromacs/cvs/gmx/config/missing --run makeinfo
+MOTIF_OBJ = ${motif_obj}
+MPICC =
+NASM = /usr/bin/nasm
+NASMFLAGS = -f elf
+PACKAGE = gromacs
+PAR_OBJ = ${libnet_obj}
+RANLIB = ranlib
+SSE_OBJ = ${sse_obj}
+SUFFIX =
+TDN_OBJ = ${tdn_obj}
+VERSION = 3.0b
+X86_ASM_OBJ = ${x86_asm_obj}
+XDR_OBJ = ${xdr_obj}
+_am_include = include
+bindir = ${exec_prefix}/bin/i686-pc-linux-gnu
+install_sh = ./config/install-sh
+libdir = ${exec_prefix}/lib/i686-pc-linux-gnu
+
+#
+# Don't edit - this file is generated automatically from Makefile.am
#
-# Gromacs Makefile $Id$
+
+
#
-ifeq ($(GMXHOME),)
-all:
- echo "No GROMACS environment, Please source your GMXRC file"
-else
-include $(GMXHOME)/src/makef/Makefile.def
+# Don't edit - this file is generated automatically from Makefile.am
#
-BASIC = include gmxlib mdlib fftw kernel
-ifneq ($(USE_XWIN),no)
-SRCDIRS = $(BASIC) tools ngmx
-else
-SRCDIRS = $(BASIC) tools
-endif
-LOCALDIRS = local
-ALLDIRS = $(SRCDIRS) $(LOCALDIRS)
-COPYRGTDIRS = include include/types gmxlib mdlib kernel tools ngmx $(LOCALDIRS)
-SRCFILES = Makefile makef mkhtml mkcompl
-SRCDIST = $(SRCDIRS) $(SRCFILES)
-AUXFILES = NOGMX
-AUXDIRS = top tutor html
-DIST = $(AUXFILES) $(foreach dir,$(SRCDIST),src/$(dir)) $(AUXDIRS)
-TARDIR = $(GMXHOME)
-TARCMD = tar cvf
-# /usr/local/bin/tar cvf
-#TARFLG = --exclude=CVS
-COPYRGT = $(GMXHOME)/src/local/copyrgt
-PROGRAMS = (cd bin/s10; ls; cd ../..)
-
-all: dirs oclean
- $(foreach dir,$(SRCDIRS),cd $(dir); $(MAKE); cd ..;)
-ifneq ($(PARALLEL_ONLY_MDRUN),yes)
-#ifneq ($(GMXCPU),win)
-# ./mkcompl
-#endif
-endif
-
-etags:
- find . -name "*.[chCHm4]" -print | etags -
-
-it:
- $(foreach dir,$(ALLDIRS),cd $(dir); $(MAKE); cd ..;)
-
-dist: oclean
- cd $(GMXHOME); $(TARCMD) $(TARDIR)/gmxcore.tar $(TARFLG) $(DIST)
- cd $(GMXHOME); $(TARCMD) $(TARDIR)/local.tar $(TARFLG) src/$(LOCALDIRS)
-
-basic: dirs oclean
- $(foreach dir,$(BASIC),cd $(dir); $(MAKE); cd ..;)
-# rule to make dirs where binaries and libary go:
-dirs:
- \mkdir -p $(BINDIR) $(LIBDIR);
-
-doc: man html
-
-man:
- ./mknroff
-html:
- ./mkhtml
-complete:
- ./mkcompl
-
-clean:
- $(foreach dir,$(SRCDIRS),cd $(dir); $(MAKE) clean; cd ..;)
-
-copyrgt:
- $(foreach dir,$(COPYRGTDIRS),echo $(dir); cd $(dir); $(COPYRGT) *.c; $(COPYRGT) *.h; cd $(GMXHOME)/src;)
-
-oclean:
- $(foreach dir,$(SRCDIRS),cd $(dir); $(MAKE) oclean; cd ..;)
-
-$(GMXHOME)/src/makef/Makefile.def:
- echo "Wrong GROMACS environment, Please source GMXRC in this source tree"
-endif
+# The asm suffix is for intel syntax assembly, and
+# the s suffix for at & t syntax.
+# S suffix files will be preprocessed by cpp, nasm
+# on the other hand can do this directly.
+
+
+SUFFIXES = .asm .S .F
+
+#################
+# We need a second compile command producing executables
+# that can be run on the local host to make the innerloops.
+# In most cases this is identical to the normal one, but not
+# for cross-compilation. We also need it on parallel machines
+# where the MPI executables cannot be run outside a batch queue.
+
+BUILD_COMPILE = $(BUILD_CC) $(DEFS) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS)
+
+SUBDIRS = include gmxlib mdlib kernel tools ngmx
+# don't do anything for the local directory
+EXTRA_DIST = Makefile.inc
+
+CLEANFILES = *~ \\\#*
+subdir = src
+mkinstalldirs = $(SHELL) $(top_srcdir)/./config/mkinstalldirs
+CONFIG_HEADER = ../src/include/config.h
+CONFIG_CLEAN_FILES =
+CFLAGS = -O6 -fomit-frame-pointer -finline-functions -funroll-all-loops -Wall -Wno-unused -malign-double
+COMPILE = $(CC) $(DEFS) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS)
+CCLD = $(CC)
+LINK = $(CCLD) $(AM_CFLAGS) $(CFLAGS) $(AM_LDFLAGS) $(LDFLAGS) -o $@
+DIST_SOURCES =
+DIST_COMMON = Makefile.am Makefile.in
+
+
+DISTFILES = $(DIST_COMMON) $(DIST_SOURCES) $(TEXINFOS) $(EXTRA_DIST)
+
+GZIP_ENV = --best
+DIST_SUBDIRS = $(SUBDIRS)
+all: all-recursive
+.SUFFIXES:
+.SUFFIXES: .asm .S .F
+$(srcdir)/Makefile.in: Makefile.am $(top_srcdir)/configure.in $(ACLOCAL_M4) $(srcdir)/Makefile.inc
+ cd $(top_srcdir) && $(AUTOMAKE) --gnu src/Makefile
+
+Makefile: $(srcdir)/Makefile.in $(top_builddir)/config.status
+ cd $(top_builddir) \
+ && CONFIG_FILES=$(subdir)/$@ CONFIG_HEADERS= CONFIG_LINKS= $(SHELL) ./config.status
+
+
+# This directory's subdirectories are mostly independent; you can cd
+# into them and run `make' without going through this Makefile.
+# To change the values of `make' variables: instead of editing Makefiles,
+# (1) if the variable is set in `config.status', edit `config.status'
+# (which will cause the Makefiles to be regenerated when you run `make');
+# (2) otherwise, pass the desired values on the `make' command line.
+all-recursive install-data-recursive install-exec-recursive \
+installdirs-recursive install-recursive uninstall-recursive \
+check-recursive installcheck-recursive info-recursive dvi-recursive:
+ @set fnord $(MAKEFLAGS); amf=$$2; \
+ dot_seen=no; \
+ target=`echo $@ | sed s/-recursive//`; \
+ list='$(SUBDIRS)'; for subdir in $$list; do \
+ echo "Making $$target in $$subdir"; \
+ if test "$$subdir" = "."; then \
+ dot_seen=yes; \
+ local_target="$$target-am"; \
+ else \
+ local_target="$$target"; \
+ fi; \
+ (cd $$subdir && $(MAKE) $(AM_MAKEFLAGS) $$local_target) \
+ || case "$$amf" in *=*) exit 1;; *k*) fail=yes;; *) exit 1;; esac; \
+ done; \
+ if test "$$dot_seen" = "no"; then \
+ $(MAKE) $(AM_MAKEFLAGS) "$$target-am" || exit 1; \
+ fi; test -z "$$fail"
+
+mostlyclean-recursive clean-recursive distclean-recursive \
+maintainer-clean-recursive:
+ @set fnord $(MAKEFLAGS); amf=$$2; \
+ dot_seen=no; \
+ case "$@" in \
+ distclean-* | maintainer-clean-*) list='$(DIST_SUBDIRS)' ;; \
+ *) list='$(SUBDIRS)' ;; \
+ esac; \
+ rev=''; for subdir in $$list; do \
+ if test "$$subdir" = "."; then :; else \
+ rev="$$subdir $$rev"; \
+ fi; \
+ done; \
+ rev="$$rev ."; \
+ target=`echo $@ | sed s/-recursive//`; \
+ for subdir in $$rev; do \
+ echo "Making $$target in $$subdir"; \
+ if test "$$subdir" = "."; then \
+ local_target="$$target-am"; \
+ else \
+ local_target="$$target"; \
+ fi; \
+ (cd $$subdir && $(MAKE) $(AM_MAKEFLAGS) $$local_target) \
+ || case "$$amf" in *=*) exit 1;; *k*) fail=yes;; *) exit 1;; esac; \
+ done && test -z "$$fail"
+tags-recursive:
+ list='$(SUBDIRS)'; for subdir in $$list; do \
+ test "$$subdir" = . || (cd $$subdir && $(MAKE) $(AM_MAKEFLAGS) tags); \
+ done
+
+tags: TAGS
+
+ID: $(HEADERS) $(SOURCES) $(LISP) $(TAGS_FILES)
+ list='$(SOURCES) $(HEADERS) $(TAGS_FILES)'; \
+ unique=`for i in $$list; do \
+ if test -f "$$i"; then echo $$i; else echo $(srcdir)/$$i; fi; \
+ done | \
+ $(AWK) ' { files[$$0] = 1; } \
+ END { for (i in files) print i; }'`; \
+ mkid -fID $$unique $(LISP)
+
+TAGS: tags-recursive $(HEADERS) $(SOURCES) $(TAGS_DEPENDENCIES) \
+ $(TAGS_FILES) $(LISP)
+ tags=; \
+ here=`pwd`; \
+ list='$(SUBDIRS)'; for subdir in $$list; do \
+ if test "$$subdir" = .; then :; else \
+ test -f $$subdir/TAGS && tags="$$tags -i $$here/$$subdir/TAGS"; \
+ fi; \
+ done; \
+ list='$(SOURCES) $(HEADERS) $(TAGS_FILES)'; \
+ unique=`for i in $$list; do \
+ if test -f "$$i"; then echo $$i; else echo $(srcdir)/$$i; fi; \
+ done | \
+ $(AWK) ' { files[$$0] = 1; } \
+ END { for (i in files) print i; }'`; \
+ test -z "$(ETAGS_ARGS)$$unique$(LISP)$$tags" \
+ || etags $(ETAGS_ARGS) $$tags $$unique $(LISP)
+
+GTAGS:
+ here=`CDPATH=: && cd $(top_builddir) && pwd` \
+ && cd $(top_srcdir) \
+ && gtags -i $$here
+
+distclean-tags:
+ -rm -f TAGS ID
+
+distdir = $(top_builddir)/$(PACKAGE)-$(VERSION)/$(subdir)
+
+
+distdir: $(DISTFILES)
+ @for file in $(DISTFILES); do \
+ d=$(srcdir); \
+ if test -d $$d/$$file; then \
+ cp -pR $$d/$$file $(distdir) \
+ || exit 1; \
+ else \
+ test -f $(distdir)/$$file \
+ || cp -p $$d/$$file $(distdir)/$$file \
+ || exit 1; \
+ fi; \
+ done
+ for subdir in $(SUBDIRS); do \
+ if test "$$subdir" = .; then :; else \
+ test -d $(distdir)/$$subdir \
+ || mkdir $(distdir)/$$subdir \
+ || exit 1; \
+ (cd $$subdir && \
+ $(MAKE) $(AM_MAKEFLAGS) top_distdir=../$(top_distdir) distdir=../$(distdir)/$$subdir distdir) \
+ || exit 1; \
+ fi; \
+ done
+info-am:
+info: info-recursive
+dvi-am:
+dvi: dvi-recursive
+check-am: all-am
+check: check-recursive
+installcheck-am:
+installcheck: installcheck-recursive
+install-exec-am:
+install-exec: install-exec-recursive
+
+install-data-am:
+install-data: install-data-recursive
+
+install-am: all-am
+ @$(MAKE) $(AM_MAKEFLAGS) install-exec-am install-data-am
+install: install-recursive
+uninstall-am:
+uninstall: uninstall-recursive
+all-am: Makefile
+install-strip:
+ $(MAKE) $(AM_MAKEFLAGS) INSTALL_STRIP_FLAG=-s install
+installdirs: installdirs-recursive
+installdirs-am:
+
+
+mostlyclean-generic:
+
+clean-generic:
+ -test -z "$(CLEANFILES)" || rm -f $(CLEANFILES)
+
+distclean-generic:
+ -rm -f Makefile $(CONFIG_CLEAN_FILES)
+ -rm -f config.cache config.log stamp-h stamp-h[0-9]*
+
+maintainer-clean-generic:
+ @echo "This command is intended for maintainers to use"
+ @echo "it deletes files that may require special tools to rebuild."
+ -rm -f Makefile.in
+clean: clean-recursive
+
+clean-am: clean-generic mostlyclean-am
+
+distclean: distclean-recursive
+
+distclean-am: clean-am distclean-generic distclean-tags
+
+maintainer-clean: maintainer-clean-recursive
+
+maintainer-clean-am: distclean-am maintainer-clean-generic
+
+mostlyclean: mostlyclean-recursive
+
+mostlyclean-am: mostlyclean-generic
+
+.PHONY: all-recursive check check-am check-recursive clean clean-generic \
+ clean-recursive distclean distclean-generic distclean-recursive \
+ distclean-tags distdir dvi dvi-am dvi-recursive info info-am \
+ info-recursive install install-am install-data install-data-am \
+ install-data-recursive install-exec install-exec-am \
+ install-exec-recursive install-recursive install-strip \
+ installcheck installcheck-am installcheck-recursive installdirs \
+ installdirs-am installdirs-recursive maintainer-clean \
+ maintainer-clean-generic maintainer-clean-recursive mostlyclean \
+ mostlyclean-generic mostlyclean-recursive tags tags-recursive \
+ uninstall uninstall-am uninstall-recursive
+
+.asm.o:
+ $(NASM) $(NASMFLAGS) $< -o $@
+.S.s:
+ $(CPP) $< > $@
+.F.f:
+ $(CPP) $< > $@
+
+mdrun:
+ (cd ${top_builddir}/src/gmxlib && $(MAKE))
+ (cd ${top_builddir}/src/mdlib && $(MAKE))
+ (cd ${top_builddir}/src/kernel && $(MAKE) mdrun)
+
+install-mdrun:
+ cd ${top_builddir}/src/kernel
+ make install-mdrun
+
+# Tell versions [3.59,3.63) of GNU make to not export all variables.
+# Otherwise a system limit (for SysV at least) may be exceeded.
+.NOEXPORT:
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# FORTRAN function names are in upper case
-#
-define(`FUNCTION',`translit($1,abcdefghijklmnopqrstuvwxyz,ABCDEFGHIJKLMNOPQRSTUVWXYZ)')
-#
-# FORTRAN character strings are passed as follows:
-# XXX is this right?
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-#include <fortran.h>
-
-undefine(`len')
-define(`FUNCTION',`translit($1,abcdefghijklmnopqrstuvwxyz,ABCDEFGHIJKLMNOPQRSTUVWXYZ)')
-define(`STRING_ARG',`$1_fcd')
-define(`STRING_ARG_DECL',`_fcd $1_fcd')
-define(`STRING_LEN',`_fcdlen($1_fcd)')
-define(`STRING_PTR',`_fcdtocp($1_fcd)')
-define(`ARGS',`($1)')
+++ /dev/null
-#include <fortran.h>
-
-undefine(`len')
-define(`FUNCTION',`translit($1,abcdefghijklmnopqrstuvwxyz,ABCDEFGHIJKLMNOPQRSTUVWXYZ)')
-define(`STRING_ARG',`$1_fcd')
-define(`STRING_ARG_DECL',`_fcd $1_fcd')
-define(`STRING_LEN',`_fcdlen($1_fcd)')
-define(`STRING_PTR',`_fcdtocp($1_fcd)')
-define(`ARGS',`($1)')
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# do nothing special to FORTRAN function names
-#
-define(`FUNCTION',`$1')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# the HP Snake does nothing special to FORTRAN function names
-#
-# The preceding statement is not QUITE true.... If one invokes
-# certain options for the HP compiler, THEN subprogram names take
-# on the form.... "abcedf_" as opposed to "abcdef" as stated above.
-# There seems to be no clean solution. MY answer is to create TWO
-# separate libaries, one WITH underscores in the names and one WITHOUT.
-# Each routinme is compiled twice, once with an underscore in the
-# routine name and once without. Thus, each ".o" file actually
-# contains two routines. The resulting library lets the loader
-# pick and choose whichever the perverted HP system wants at THAT
-# particular time..... -RWB 1/5/93
-define(`FUNCTION',ifdef(`USCORYES',`$1_',`$1'))
-
-#define(`FUNCTION',`$1')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# do nothing special to FORTRAN function names
-#
-define(`FUNCTION',`$1')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-# XXX I hope...
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
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-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/commrec.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/forcerec.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/mdatom.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/ifunc.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/filenm.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/group.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/drblock.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/parm.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/matrix.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/edsams.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/types/pulls.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/futil.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/statutil.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/filenm.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/readinp.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/wman.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/copyrite.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/smalloc.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/xvgr.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/viewit.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/vec.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/maths.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/macros.h
-$(LIB)(xvgr.o): $(GMXHOME)/src/include/x86cpu.h
+++ /dev/null
-#!gmake
-#
-# $Id$
-#
-#
-# GROMACS - Groningen Machine for Chemical Simulation
-# Copyright (c) 1990-1994, Groningen University
-#
-# Makefile for gmxlib
-#
-ifeq ($(GMXHOME),)
-all:
- @echo "No GROMACS environment, Please source your GMXRC file"
-else
-include $(GMXHOME)/src/makef/Makefile.def
-#
-CPUMAKEF = ../makef/Makefile.$(GMXCPU)
-M4 = m4
-M4DIR = .
-M4FILE = $(M4DIR)/$(GMXCPU).m4
-M4MAC = $(M4DIR)/gmxmac.m4
-LIB = $(LIBDIR)/libgmx.$(GMXCPU).a
-XTCLIB = $(LIBDIR)/libxtcf.a
-MKDEP_PRE = $(MAKE) fnbf.c
-MKDEP_POST = $(RM) fnbf.c
-SONAME = libgmx.$(GMXCPU).so
-TMPFILES = mkinl callf77.c libxdrf.c axp_asm.s \
- inner.h innerf.f innerc.c fnbf.c callf77A.c
-OBJ = \
- 3dview.o atomprop.o block_tx.o bondfree.o \
- buffer.o calcgrid.o calch.o callf77A.o \
- confio.o copyrite.o disre.o do_fit.o \
- enxio.o ewald_util.o fatal.o ffscanf.o \
- filenm.o futil.o gbutil.o fnbf.o \
- gmxfio.o ifunc.o index.o cinvsqrtdata.o \
- crecipdata.o invblock.o javaio.o macros.o \
- main.o maths.o matio.o memdump.o \
- mshift.o mvdata.o mvxvf.o names.o \
- network.o nrama.o nrjac.o nrnb.o \
- pargs.o pbc.o pdbio.o princ.o \
- rando.o random.o rbin.o rdgroup.o \
- readinp.o replace.o rmpbc.o shift_util.o \
- sortwater.o smalloc.o stat.o statutil.o \
- strdb.o string2.o symtab.o tpxio.o \
- trnio.o trxio.o txtdump.o typedefs.o \
- viewit.o wgms.o wman.o writeps.o \
- xdrd.o xtcio.o xvgr.o
-
-MKINL_OBJ = \
- mkinl.o mkinl_declarations.o mkinl_outerloop.o \
- mkinl_innerloop.o mkinl_calcdist.o mkinl_invsqrt.o \
- mkinl_recip.o mkinl_interactions.o metacode.o
-
-ifeq ($(USEF77),yes)
-OBJ += innerf.o
-ifeq ($(USE_THREADS),yes)
-OBJ += threadsync.o # f77 calls a C syncing routine
-endif # no threads
-else # not f77
-OBJ += innerc.o
-endif
-
-ifeq ($(HAVE_MOTIF),yes)
-OBJ += mgmx.o widget.o
-endif
-
-ifeq ($(USE_XDR),yes)
-OBJ += libxdrf.o ftocstr.o
-else
-OBJ += dumxdrf.o
-endif
-
-ifneq (,$(findstring USE_SSE_AND_3DNOW,$(SYSDEFS)))
-ifeq ($(GMXCPU),lnx)
-OBJ += x86cpu.o x86asm.o inner_3dnow.o inner_sse.o
-endif
-endif
-
-ifneq (,$(findstring USE_AXP_ASM,$(SYSDEFS)))
-ifeq ($(GMXCPU),dec)
-OBJ += axp_asm.o
-endif
-ifeq ($(GMXCPU),ded)
-OBJ += axp_asm.o
-endif
-ifeq ($(GMXCPU),alx)
-OBJ += axp_asm.o
-endif
-ifeq ($(GMXCPU),ald)
-OBJ += axp_asm.o
-endif
-endif
-
-# Some CPU dependencies...
-ifeq ($(GMXCPU),cm5)
-OBJ += cm5io.o
-else
-ifeq ($(USE_PVM3),yes)
-OBJ += pvmio.o
-else
-ifeq ($(USE_MPI),yes)
-OBJ += mpiio.o
-else
-OBJ += libnet.o
-endif
-endif
-endif
-
-
-#
-include $(STDTARGET)
-#
-
-libxdrf.c: libxdrf.m4 $(M4FILE) $(CPUMAKEF)
- $(M4) $(M4FILE) libxdrf.m4 > libxdrf.c
-
-callf77.c: callf77.m4 $(M4FILE) $(CPUMAKEF)
- $(M4) $(M4FILE) callf77.m4 > callf77.c
-
-callf77A.c: callf77A.m4 $(M4FILE) $(CPUMAKEF)
- $(M4) $(M4FILE) callf77A.m4 > callf77A.c
-
-$(XTCLIB)(libxdrf.o): libxdrf.c
- $(CC) $(C-FLAGS) -c libxdrf.c
- $(AR) $(ARFLAGS) $(LIB) libxdrf.o
-
-$(XTCLIB): $(XTCLIB)(ftocstr.o) $(XTCLIB)(libxdrf.o) \
- $(XTCLIB)(xtciof.o)
-
-xtclib: $(XTCLIB)
-
-testfft: testfft.o
- $(LD) -o $@ $^ $(SYSLIBS) -lcomplib.sgimath
-testtab: testtab.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-$(LIB)(libxdrf.o): libxdrf.c
- $(CC) $(C-FLAGS) -c libxdrf.c
- $(AR) $(ARFLAGS) $(LIB) libxdrf.o
-
-$(LIB)(callf77.o): callf77.c $(M4FILE)
- $(CC) $(C-FLAGS) -c callf77.c
- $(AR) $(ARFLAGS) $(LIB) callf77.o
-
-repfirst: repfirst.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-testlr: testlr.o ewald.o
- $(LD) -p -o $@ $^ $(SYSLIBS) $(FFTLIBS) $(SYSLIBS)
-
-optghat: optghat.o ewald.o \
- nrutil.o powell.o linmin.o \
- brent.o f1dim.o mnbrak.o
- $(LD) -o $@ $^ $(SYSLIBS) $(FFTLIBS)
-
-lfft: lfft.o
- $(LD) -o $@ $^ $(SYSLIBS)
-fitter: fitter.o
- $(LD) -o $@ $^ $(SYSLIBS) $(FFTLIBS)
-mgmxtest: mgmxtest.o
- $(LD) -o $@ $^ $(SYSLIBS)
-calcrf: calcrf.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-
-$(LIB)(callf77A.o): callf77A.c
- $(CC) $(C-FLAGS) -c callf77A.c
- $(AR) $(ARFLAGS) $(LIB) callf77A.o
-
-
-# Innerloop related stuff
-$(LIB)(shakef.o): $(CPUMAKEF)
-
-fnbf.c: fnbf.m4 $(M4MAC) $(M4FILE) $(CPUMAKEF)
- $(M4) $(SYSDEFS) $(M4FILE) $(M4MAC) fnbf.m4 > fnbf.c
-
-$(LIB)(fnbf.o): fnbf.c inner.h $(M4MAC) $(M4FILE) $(CPUMAKEF)
- $(CC) $(C-FLAGS) -c fnbf.c
- $(AR) $(ARFLAGS) $(LIB) fnbf.o
-
-x86asm.o: x86asm.s
- @echo "If your build bails out here, it is most probably because"
- @echo "you are using a version of nasm which does not support the"
- @echo "*EXTENDED* 3dnow instruction set. Vanilla nasm 0.98 has to"
- @echo "be patched to enable this. You'll find both these patches and"
- @echo "a precompiled version under software on the gromacs homepage."
-ifeq ($(GMXCPU),win)
- nasm -f win32 -o x86asm.o x86asm.s
-else
- nasm -f elf -o x86asm.o x86asm.s
-endif
-
-inner_3dnow.o: inner_3dnow.s
- @echo "If your build bails out here, it is most probably because"
- @echo "you are using a version of nasm which does not support the"
- @echo "*EXTENDED* 3dnow instruction set. Vanilla nasm 0.98 has to"
- @echo "be patched to enable this. You'll find both these patches and"
- @echo "a precompiled version under software on the gromacs homepage."
-ifeq ($(GMXCPU),win)
- nasm -f win32 -o inner_3dnow.o inner_3dnow.s
-else
- nasm -f elf -o inner_3dnow.o inner_3dnow.s
-endif
-inner_sse.o: inner_sse.s
-ifeq ($(GMXCPU),win)
- nasm -f win32 -o inner_sse.o inner_sse.s
-else
- nasm -f elf -o inner_sse.o inner_sse.s
-endif
-
-axp_asm.o: axp_asm.S
- $(CC) -E axp_asm.S > axp_asm.s
- $(CC) -c axp_asm.s -o axp_asm.o
-
-ifeq ($(CC_MKINL),)
-CC_MKINL = $(CC) $(C-FLAGS)
-endif
-ifeq ($(LD_MKINL),)
-LD_MKINL = $(LD)
-endif
-
-ctabdata.o: ctabdata.c $(CPUMAKEF)
-
-mkinl.o: mkinl.c $(CPUMAKEF)
- $(CC_MKINL) $(C-FLAGS) -c mkinl.c
-
-mkinl_declarations.o: mkinl_declarations.c $(CPUMAKEF)
- $(CC_MKINL) $(C-FLAGS) -c mkinl_declarations.c
-
-mkinl_outerloop.o: mkinl_outerloop.c $(CPUMAKEF)
- $(CC_MKINL) $(C-FLAGS) -c mkinl_outerloop.c
-
-mkinl_innerloop.o: mkinl_innerloop.c $(CPUMAKEF)
- $(CC_MKINL) $(C-FLAGS) -c mkinl_innerloop.c
-
-mkinl_calcdist.o: mkinl_calcdist.c $(CPUMAKEF)
- $(CC_MKINL) $(C-FLAGS) -c mkinl_calcdist.c
-
-mkinl_invsqrt.o: mkinl_invsqrt.c $(CPUMAKEF)
- $(CC_MKINL) $(C-FLAGS) -c mkinl_invsqrt.c
-
-mkinl_recip.o: mkinl_recip.c $(CPUMAKEF)
- $(CC_MKINL) $(C-FLAGS) -c mkinl_recip.c
-
-mkinl_interactions.o: mkinl_interactions.c $(CPUMAKEF)
- $(CC_MKINL) $(C-FLAGS) -c mkinl_interactions.c
-
-metacode.o: metacode.c $(CPUMAKEF)
- $(CC_MKINL) $(C-FLAGS) -c metacode.c
-
-mkinl: $(MKINL_OBJ) $(CPUMAKEF)
- $(LD_MKINL) $(C-FLAGS) -o $@ $(MKINL_OBJ)
-
-inner.h: inner.m4 $(CPUMAKEF)
- $(M4) $(SYSDEFS) $(M4FILE) $(M4MAC) inner.m4 > inner.h
-
-$(LIB)(innerf.o): mkinl inner.h $(CPUMAKEF)
- ./mkinl fortran
- $(F77) $(FFLAGS) -c innerf.f
- $(AR) $(ARFLAGS) $(LIB) innerf.o
-
-$(LIB)(innerc.o): mkinl inner.h Makefile $(CPUMAKEF)
- ./mkinl c
- $(CC) $(SYSDEFS) $(C-FLAGS) -c innerc.c
- $(AR) $(ARFLAGS) $(LIB) innerc.o
-
-innerf.f: mkinl Makefile $(CPUMAKEF)
- ./mkinl fortran
-
-innerc.c: mkinl inner.h Makefile $(CPUMAKEF)
- ./mkinl c
-
-tst: tst.o
- $(FLD) -o tst tst.o $(SYSLIBS)
-
-tstsqrtc: tstsqrtc.o
- $(LD) -o tstsqrtc tstsqrtc.o $(SYSLIBS)
-
-
-$(GMXHOME)/src/makef/Makefile.def:
- @echo "Wrong GROMACS environment, Please source GMXRC in this source tree"
-
-include Make.dep
-endif
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+include $(srcdir)/../Makefile.inc
+#
+# This is necessary for VPATH builds (and thus distcheck) to work,
+# but it can probably included in a nicer way...
+INCLUDES = @INCLUDES@ -I$(top_srcdir)/src/include
+
+# produce the gmx library
+#
+
+lib_LIBRARIES = libgmxXXX_SUFFIX_XXX.a
+
+libgmxXXX_SUFFIX_XXX_a_SOURCES = \
+ 3dview.c atomprop.c block_tx.c bondfree.c \
+ buffer.c calcgrid.c calch.c inner.h \
+ confio.c copyrite.c disre.c do_fit.c \
+ enxio.c ewald_util.c fatal.c ffscanf.c \
+ filenm.c futil.c gbutil.c fnbf.c \
+ gmxfio.c ifunc.c index.c cinvsqrtdata.c \
+ crecipdata.c invblock.c javaio.c macros.c \
+ main.c maths.c matio.c memdump.c \
+ mshift.c mvdata.c mvxvf.c names.c \
+ network.c nrama.c nrjac.c nrnb.c \
+ pargs.c pbc.c pdbio.c princ.c \
+ rando.c random.c rbin.c rdgroup.c \
+ readinp.c replace.c rmpbc.c shift_util.c \
+ sortwater.c smalloc.c stat.c statutil.c \
+ strdb.c string2.c symtab.c tpxio.c \
+ trnio.c trxio.c txtdump.c typedefs.c \
+ viewit.c wgms.c wman.c writeps.c \
+ xdrd.c xtcio.c xvgr.c replace.h \
+ x86_cpu.c
+
+EXTRA_libgmxXXX_SUFFIX_XXX_a_SOURCES = \
+ mpiio.c libnet.c innerf.f innerc.c \
+ libxdrf.c ftocstr.c dumxdrf.c mgmx.c \
+ widget.c widget.h x86_cpuid.asm axp_asm.S \
+ x86_sse.asm x86_3dnow.asm f77_wrappers.c frecipdata.inc \
+ finvsqrtdata.inc
+
+
+mpi_obj = mpiio.o
+libnet_obj = libnet.o
+inner_f77_obj = innerf.o f77_wrappers.o
+inner_c_obj = innerc.o
+xdr_obj = libxdrf.o ftocstr.o
+noxdr_obj = dumxdrf.o
+motif_obj = mgmx.o widget.o
+x86_asm_obj = x86_cpuid.o
+sse_obj = x86_sse.o
+tdn_obj = x86_3dnow.o
+axp_asm_obj = axp_asm.o
+
+
+libgmxXXX_SUFFIX_XXX_a_LIBADD = \
+ @PAR_OBJ@ @INNER_F77_OBJ@ @INNER_C_OBJ@ \
+ @AXP_ASM_OBJ@ @X86_ASM_OBJ@ @SSE_OBJ@ \
+ @TDN_OBJ@ @MOTIF_OBJ@ @XDR_OBJ@
+
+
+libgmxXXX_SUFFIX_XXX_a_DEPENDENCIES = \
+ @PAR_OBJ@ @INNER_F77_OBJ@ @INNER_C_OBJ@ \
+ @AXP_ASM_OBJ@ @X86_ASM_OBJ@ @SSE_OBJ@ \
+ @TDN_OBJ@ @MOTIF_OBJ@ @XDR_OBJ@
+
+
+# The inner loops
+innerf.f: mkinl
+ ./mkinl fortran
+innerc.c: mkinl
+ ./mkinl c
+
+
+noinst_PROGRAMS = mkinl
+
+mkinl_SOURCES = \
+ mkinl.c mkinl_declarations.c mkinl_outerloop.c \
+ mkinl_innerloop.c mkinl_calcdist.c mkinl_invsqrt.c \
+ mkinl_recip.c mkinl_interactions.c metacode.c \
+ mkinl.h
+
+metacode.o: metacode.c
+ $(BUILD_COMPILE) -c $(srcdir)/metacode.c
+mkinl.o: mkinl.c
+ $(BUILD_COMPILE) -c $(srcdir)/mkinl.c
+mkinl_declarations.o: mkinl_declarations.c
+ $(BUILD_COMPILE) -c $(srcdir)/mkinl_declarations.c
+mkinl_outerloop.o: mkinl_outerloop.c
+ $(BUILD_COMPILE) -c $(srcdir)/mkinl_outerloop.c
+mkinl_innerloop.o: mkinl_innerloop.c
+ $(BUILD_COMPILE) -c $(srcdir)/mkinl_innerloop.c
+mkinl_calcdist.o: mkinl_calcdist.c
+ $(BUILD_COMPILE) -c $(srcdir)/mkinl_calcdist.c
+mkinl_invsqrt.o: mkinl_invsqrt.c
+ $(BUILD_COMPILE) -c $(srcdir)/mkinl_invsqrt.c
+mkinl_recip.o: mkinl_recip.c
+ $(BUILD_COMPILE) -c $(srcdir)/mkinl_recip.c
+mkinl_interactions.o: mkinl_interactions.c
+ $(BUILD_COMPILE) -c $(srcdir)/mkinl_interactions.c
+
+MKINL_OBJ = \
+ mkinl.o mkinl_declarations.o mkinl_outerloop.o mkinl_innerloop.o \
+ mkinl_calcdist.o mkinl_invsqrt.o mkinl_recip.o mkinl_interactions.o \
+ metacode.o
+
+mkinl: $(MKINL_OBJ)
+ $(BUILD_COMPILE) -o $@ $(MKINL_OBJ)
+
+
+# clean things explicitly, since the target names might have changed
+CLEANFILES = ${lib_LIBRARIES} *_d.a *_mpi.a *~ \\\#* innerc.c innerf.f
+
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# do nothing special to FORTRAN function names
-#
-define(`FUNCTION',`$1')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-# XXX I hope...
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# do nothing special to FORTRAN function names
-#
-define(`FUNCTION',`$1')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
-
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# FORTRAN function names are in upper case
-#
-define(`FUNCTION',`translit($1,abcdefghijklmnopqrstuvwxyz,ABCDEFGHIJKLMNOPQRSTUVWXYZ)')
-#
-# The Titan uses a special string descriptor to pass strings in FORTRAN.
-# The descriptor is passed by reference.
-#
-divert(0)
-typedef struct { char *ptr; int length; } FSD;
-divert(-1)
-define(`STRING_ARG',`$1_fsd')
-define(`STRING_ARG_DECL',`FSD * $1_fsd')
-define(`STRING_LEN',`($1_fsd)->length')
-define(`STRING_PTR',`($1_fsd)->ptr')
-define(`ARGS',`($1)')
-divert(0)
+++ /dev/null
-undefine(`len')
-define(`FUNCTION',`$1_')
-define(`STRING_ARG',`$1_ptr, $1_len')
-define(`STRING_ARG_DECL',`char * $1_ptr; int * $1_len')
-define(`STRING_LEN',`(*$1_len)')
-define(`STRING_PTR',`$1_ptr')
-define(`ARGS',`($1)')
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-#include <math.h>
-#include "typedefs.h"
-#include "callf77.h"
-#include "fatal.h"
-
-/* This file provides the interface to fortran routines in a machine
- * independent way.
- */
-
-
-
-real FUNCTION(cerfc)(real *x)
-{
- return erfc(*x);
-}
-
-real FUNCTION(cpow)(real *x,real *y)
-{
- return pow(*x,*y);
-}
-#ifdef GMX_INVSQRT
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+/* just put something here to avoid empty file warnings */
+int cinvsqrtdata_stub;
+
+#ifdef SOFTWARE_SQRT
const unsigned int cinvsqrtexptab[256] = {
0x5f000000,0x5e800000,0x5e800000,0x5e000000,0x5e000000,0x5d800000,0x5d800000,0x5d000000,
0x5d000000,0x5c800000,0x5c800000,0x5c000000,0x5c000000,0x5b800000,0x5b800000,0x5b000000,
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
bool be_cool(void)
{
static int cool=-1;
+ char *envptr;
if (cool == -1) {
- if ((getenv("IAMCOOL")) == NULL)
+ envptr=getenv("IAMCOOL");
+
+ if ((envptr!=NULL) && (!strcmp(envptr,"no") || !strcmp(envptr,"NO")))
cool=0;
else
cool=1;
fprintf(out,"%s\n",buf);
}
-/* char *GromacsVersion() */
-/* { */
-/* return ver; */
-/* } */
-
static int nran=0;
static char *pukeit(char *db,char *defstring)
void CopyRight(FILE *out,char *szProgram)
{
-#define NCR asize(CopyrightText)
+#define NCR (int)asize(CopyrightText)
char buf[256];
char *ptr;
ster_print(out,"G R O M A C S");
fprintf(out,"\n");
-
+
ptr=bromacs();
sp_print(out,ptr);
fprintf(out,"\n");
-
+
ster_print(out,GromacsVersion());
fprintf(out,"\n");
-
+
for(i=0; (i<NCR); i++)
sp_print(out,CopyrightText[i]);
-
+
sprintf(buf,"%s",szProgram);
#ifdef DOUBLE
strcat(buf," (double precision)");
fprintf(out,"\n");
}
+
void thanx(FILE *fp)
{
char *cq,*c;
"J. Chem. Phys.",
"108 1998 10220 10230"
};
-#define NSTR asize(citedb)
+#define NSTR (int)asize(citedb)
int j,index,year,vol,p1,p2;
char *ptr[3];
fprintf(fp,"-------- -------- --- Thank You --- -------- --------\n\n");
fflush(fp);
}
+
+char *GromacsVersion()
+{
+ static bool bFirst=TRUE;
+ static char ver_string[100];
+
+ /* The version number is defined by the autoconf scripts */
+ if(bFirst) {
+ sprintf(ver_string,"VERSION %s",VERSION);
+ bFirst=FALSE;
+ }
+
+ return ver_string;
+}
-#ifdef GMX_RECIP
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+/* just put something here to avoid empty file warnings */
+int crecipdata_stub;
+
+#ifdef SOFTWARE_RECIP
const unsigned int crecipexptab[256] = {
0x7e800000,0x7e000000,0x7d800000,0x7d000000,0x7c800000,0x7c000000,0x7b800000,0x7b000000,
0x7a800000,0x7a000000,0x79800000,0x79000000,0x78800000,0x78000000,0x77800000,0x77000000,
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-//
-// @(#) delay.s 1.5 11/5/92
-//
-//
-// GROMACS - Groningen Machine for Chemical Simulation
-// Copyright (c) 1990, 1991, 1992, Groningen University
-//
-// Delay routine for the SPC-i860 by A. Sijbers, (c) 1991,1992
-//
-// General description:
-//
-// The routine delay(ms) delays for the number of milli seconds, specified
-// in the argument. This routine is written in assembler to be independent
-// of compiler options and optimalisations. Caching effects are ignored.
-//
-// C-interface:
-//
-// extern void delay(int ms)
-// Delays for ms milli seconds.
-//
-.globl _delay
-.globl _delay01
-//
-// extern void delay(int ms)
-// delays for ms milli seconds.
-// extern void delay01(int ms01)
-// delays for ms 0.01 milli seconds.
-// in:
-// r16 = ms
-// modifies:
-// r16,r17,r18
-//
-MS_LOOP = 6666 // Experimental value for loop count,
- // accuracy: 1 percent
-//
-_delay:
- adds 1,r0,r18 // decrement
- subs 0,r16,r0
- bnc delay_done
- subs r16,r18,r16
- mov MS_LOOP,r17
-loop:
- subs 0,r17,r0
- bnc _delay
- subs r17,r18,r17
- br loop
- nop
-delay_done:
- bri r1
- nop
-//
-MS01_LOOP = 66 // Experimental value for loop count,
- // accuracy: 1 percent
-//
-_delay01:
- adds 1,r0,r18 // decrement
- subs 0,r16,r0
- bnc delay01_done
- subs r16,r18,r16
- mov MS01_LOOP,r17
-loop01:
- subs 0,r17,r0
- bnc _delay01
- subs r17,r18,r17
- br loop01
- nop
-delay01_done:
- bri r1
- nop
-//
real weight_rt_1[MAX_DRPAIRS];
rvec *fshift;
real smooth_fc,rt,Rt,Rav,rav_3,rt_1,rt_3,Rav_6,Rt_6,rt2;
- real k0,f_scal,fmax_scal,fk_scal,fij;
+ real k0,f_scal=0,fmax_scal,fk_scal,fij;
real tav_viol,instant_viol,mixed_viol,violtot;
real tav_viol_Rav7,instant_viol_Rav7;
real up1,up2,low;
--- /dev/null
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+#include <math.h>
+#include <typedefs.h>
+#include <callf77.h>
+
+/* These are wrapper routines for f77 to use the C
+ * math library routines.
+ */
+
+#ifdef USE_FORTRAN
+real F77_FUNC(cerfc,CERFC)(real *x)
+{
+ return erfc(*x);
+}
+
+real F77_FUNC(cpow,CPOW)(real *x,real *y)
+{
+ return pow(*x,*y);
+}
+#endif
--- /dev/null
+/*
+ * $Id$
+ *
+ * This source code is part of
+ *
+ * G R O M A C S
+ *
+ * GROningen MAchine for Chemical Simulations
+ *
+ * VERSION 2.0
+ *
+ * Copyright (c) 1991-1999
+ * BIOSON Research Institute, Dept. of Biophysical Chemistry
+ * University of Groningen, The Netherlands
+ *
+ * Please refer to:
+ * GROMACS: A message-passing parallel molecular dynamics implementation
+ * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
+ * Comp. Phys. Comm. 91, 43-56 (1995)
+ *
+ * Also check out our WWW page:
+ * http://rugmd0.chem.rug.nl/~gmx
+ * or e-mail to:
+ * gromacs@chem.rug.nl
+ *
+ * And Hey:
+ * GROningen MAchine for Chemical Simulation
+ */
+
+/********************************************************
+ * fnbf.c IS A GENERATED FILE DO NOT EDIT *
+ * edit fnbf.m4 instead *
+ ********************************************************/
+
+static char *SRCID_fnbf_c = "$Id$";
+#ifdef USE_THREADS
+#include <pthread.h> /* must come first! */
+#endif
+
+#include <stdio.h>
+#include "typedefs.h"
+#include "txtdump.h"
+#include "smalloc.h"
+#include "ns.h"
+#include "vec.h"
+#include "maths.h"
+#include "macros.h"
+#include "force.h"
+#include "names.h"
+#include "main.h"
+#include "xvgr.h"
+#include "fatal.h"
+#include "physics.h"
+#include "force.h"
+#include "inner.h"
+#include "nrnb.h"
+#include "smalloc.h"
+#include "x86_cpu.h"
+
+#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_S || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined VECTORIZE_RECIP)
+#define USE_LOCAL_BUFFERS
+#endif
+
+#ifdef USE_VECTOR
+static real *fbuf=NULL;
+# define FBUF_ARG ,fbuf
+#else
+# define FBUF_ARG
+#endif
+
+/* Fortran function macros are defined in inner.h */
+
+/* These argument definitions are NOT very pretty...
+ * Ideally, the calling sequence should change automatically,
+ * i.e. be generated by mkinl. Oh well, later... /EL 000826
+ */
+
+#ifdef USE_THREADS
+# define THREAD_ARGS ,SCAL(cr->threadid), SCAL(cr->nthreads), \
+ &(nlist->count),nlist->mtx
+# define ASM_THREAD_ARGS ,cr->threadid, cr->nthreads, \
+ &(nlist->count),nlist->mtx
+#else
+# define THREAD_ARGS
+# define ASM_THREAD_ARGS
+#endif
+
+#define COMMON_ARGS SCAL(nlist->nri),nlist->iinr,nlist->jindex, \
+ nlist->jjnr, nlist->shift,fr->shift_vec[0], \
+ fshift,nlist->gid ,x[0],f[0] \
+ FBUF_ARG THREAD_ARGS
+#define ASM_COMMON_ARGS nlist->nri,nlist->iinr,nlist->jindex, \
+ nlist->jjnr, nlist->shift,fr->shift_vec[0], \
+ fshift,nlist->gid ,x[0],f[0] \
+ FBUF_ARG ASM_THREAD_ARGS
+
+#ifdef VECTORIZE_RECIP
+# ifdef USE_VECTOR
+# define REC_BUF ,drbuf,buf1,buf2
+# else /* no USE_VECTOR */
+# define REC_BUF ,drbuf,buf1
+# endif
+#else /* no VECTORIZE_RECIP */
+# define REC_BUF
+#endif
+
+
+#ifdef USE_VECTOR
+# define INVSQRT_BUF_TEMPL1 ,drbuf,buf1,buf2
+# define INVSQRT_BUF_TEMPL2
+#else /* no USE_VECTOR */
+# define INVSQRT_BUF_TEMPL1 ,drbuf,buf1
+# define INVSQRT_BUF_TEMPL2 ,buf2
+#endif
+
+
+#ifdef VECTORIZE_INVSQRT
+# define INVSQRT_BUF1 INVSQRT_BUF_TEMPL1
+# define INVSQRT_BUF2 INVSQRT_BUF_TEMPL2
+#else
+# define INVSQRT_BUF1
+# define INVSQRT_BUF2
+#endif
+
+#ifdef VECTORIZE_INVSQRT_S
+# define INVSQRT_S_BUF1 INVSQRT_BUF_TEMPL1
+# define INVSQRT_S_BUF2 INVSQRT_BUF_TEMPL2
+#else
+# define INVSQRT_S_BUF1
+# define INVSQRT_S_BUF2
+#endif
+
+#ifdef VECTORIZE_INVSQRT_W
+# define INVSQRT_W_BUF1 INVSQRT_BUF_TEMPL1
+# define INVSQRT_W_BUF2 INVSQRT_BUF_TEMPL2
+#else
+# define INVSQRT_W_BUF1
+# define INVSQRT_W_BUF2
+#endif
+
+#ifdef VECTORIZE_INVSQRT_WW
+# define INVSQRT_WW_BUF1 INVSQRT_BUF_TEMPL1
+# define INVSQRT_WW_BUF2 INVSQRT_BUF_TEMPL2
+#else
+# define INVSQRT_WW_BUF1
+# define INVSQRT_WW_BUF2
+#endif
+
+#define LJ_ARGS ,mdatoms->typeA,SCAL(fr->ntype),fr->nbfp,egnb
+#define COUL_ARGS ,mdatoms->chargeA,SCAL(fr->epsfac),egcoul
+#define SOFTCORE_LJARGS ,mdatoms->typeA,SCAL(fr->ntype),fr->nbfp
+#define RF_ARGS ,SCAL(fr->k_rf),SCAL(fr->c_rf)
+#define LJCTAB_ARGS ,SCAL(fr->tabscale),fr->coulvdwtab
+#define LJTAB_ARGS ,SCAL(fr->tabscale),fr->coultab
+#define COULTAB_ARGS ,SCAL(fr->tabscale),fr->vdwtab
+#define BHTAB_ARGS ,SCAL(fr->tabscale_exp)
+#define FREE_ARGS ,SCAL(lambda),dvdlambda
+#define FREE_CHARGEB ,mdatoms->chargeB
+#define FREE_TYPEB ,mdatoms->typeB
+#define SOFTCORE_ARGS ,SCAL(fr->sc_alpha),SCAL(fr->sc_sigma6)
+#define SOLMN_ARGS ,nlist->nsatoms
+
+#define ASM_LJ_ARGS ,mdatoms->typeA,fr->ntype,fr->nbfp,egnb
+#define ASM_COUL_ARGS ,mdatoms->chargeA,fr->epsfac,egcoul
+#define ASM_RF_ARGS ,fr->k_rf,fr->c_rf
+#define ASM_LJCTAB_ARGS ,fr->tabscale,fr->coulvdwtab
+#define ASM_LJTAB_ARGS ,fr->tabscale,fr->coultab
+#define ASM_COULTAB_ARGS ,fr->tabscale,fr->vdwtab
+
+
+int cpu_capabilities = UNKNOWN_CPU;
+
+void do_fnbf(FILE *log,t_commrec *cr,t_forcerec *fr,
+ rvec x[],rvec f[],t_mdatoms *mdatoms,
+ real egnb[],real egcoul[],rvec box_size,
+ t_nrnb *nrnb,real lambda,real *dvdlambda,
+ bool bLR,int eNL)
+{
+ t_nblist *nlist;
+ real *fshift,nav;
+ int i,i0,i1,nrnb_ind,sz;
+ bool bWater;
+ FILE *fp;
+#ifdef USE_LOCAL_BUFFERS
+static int buflen=0;
+static real *drbuf=NULL;
+static real *buf1=NULL;
+static real *buf2=NULL;
+static real *_buf1=NULL;
+static real *_buf2=NULL;
+#endif
+
+#ifdef USE_VECTOR
+ if (fbuf == NULL)
+ snew(fbuf,mdatoms->nr*3);
+#endif
+
+#ifdef USE_LOCAL_BUFFERS
+ if (buflen==0) {
+ buflen=VECTORIZATION_BUFLENGTH;
+ snew(drbuf,3*buflen);
+ snew(_buf1,buflen+31);
+ snew(_buf2,buflen+31);
+ /* use cache aligned buffer pointers */
+ buf1=(real *) ( ( (unsigned long int)_buf1 + 31 ) & (~0x1f) );
+ buf2=(real *) ( ( (unsigned long int)_buf2 + 31 ) & (~0x1f) );
+ fprintf(log,"Using buffers of length %d for innerloop vectorization.\n",buflen);
+ }
+#endif
+
+#if (defined USE_SSE || defined USE_3DNOW)
+ if(cpu_capabilities==UNKNOWN_CPU)
+ cpu_capabilities=check_x86cpu(log);
+#endif
+
+ if (eNL >= 0) {
+ i0 = eNL;
+ i1 = i0+1;
+ }
+ else {
+ i0 = 0;
+ i1 = eNL_NR;
+ }
+ if (bLR)
+ fshift = fr->fshift_twin[0];
+ else
+ fshift = fr->fshift[0];
+
+ for(i=i0; (i<i1); i++) {
+ if (bLR)
+ nlist = &(fr->nlist_lr[i]);
+ else
+ nlist = &(fr->nlist_sr[i]);
+
+ if (nlist->nri > 0) {
+ nrnb_ind = nlist->il_code;
+
+#ifdef USE_LOCAL_BUFFERS
+ /* make sure buffers can hold the longest neighbourlist */
+ if (nlist->solvent==esolWATERWATER)
+ sz = 9*nlist->maxlen;
+ else if (nlist->solvent==esolWATER)
+ sz = 3*nlist->maxlen;
+ else
+ sz = nlist->maxlen;
+
+ if (sz>buflen) {
+ buflen=(sz+100); /* use some extra size to avoid reallocating next step */
+ srenew(drbuf,3*buflen);
+ srenew(_buf1,buflen+31);
+ srenew(_buf2,buflen+31);
+ /* make cache aligned buffer pointers */
+ buf1=(real *) ( ( (unsigned long int)_buf1 + 31 ) & (~0x1f) );
+ buf2=(real *) ( ( (unsigned long int)_buf2 + 31 ) & (~0x1f) );
+ }
+#endif
+
+ switch (nrnb_ind) {
+ case eNR_INL0100:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl0100_sse(ASM_COMMON_ARGS ASM_LJ_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl0100_3dnow(ASM_COMMON_ARGS ASM_LJ_ARGS);
+ else
+#endif
+ FUNC(inl0100,INL0100)(COMMON_ARGS REC_BUF LJ_ARGS);
+ break;
+ case eNR_INL0110:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl0110_sse(ASM_COMMON_ARGS ASM_LJ_ARGS SOLMN_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl0110_3dnow(ASM_COMMON_ARGS ASM_LJ_ARGS SOLMN_ARGS);
+ else
+#endif
+ FUNC(inl0110,INL0110)(COMMON_ARGS REC_BUF LJ_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL0200:
+ FUNC(inl0200,INL0200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS);
+ break;
+ case eNR_INL0210:
+ FUNC(inl0210,INL0210)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 LJ_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL0300:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl0300_sse(ASM_COMMON_ARGS ASM_LJ_ARGS ASM_LJTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl0300_3dnow(ASM_COMMON_ARGS ASM_LJ_ARGS ASM_LJTAB_ARGS);
+ else
+#endif
+ FUNC(inl0300,INL0300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS);
+ break;
+ case eNR_INL0310:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl0310_sse(ASM_COMMON_ARGS ASM_LJ_ARGS ASM_LJTAB_ARGS SOLMN_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl0310_3dnow(ASM_COMMON_ARGS ASM_LJ_ARGS ASM_LJTAB_ARGS SOLMN_ARGS);
+ else
+#endif
+ FUNC(inl0310,INL0310)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL0301:
+ FUNC(inl0301,INL0301)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS FREE_ARGS FREE_TYPEB);
+ break;
+ case eNR_INL0302:
+ FUNC(inl0302,INL0302)(COMMON_ARGS LJ_ARGS LJTAB_ARGS FREE_ARGS FREE_TYPEB SOFTCORE_ARGS);
+ break;
+ case eNR_INL0400:
+ FUNC(inl0400,INL0400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INL0410:
+ FUNC(inl0410,INL0410)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL0401:
+ FUNC(inl0401,INL0401)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_TYPEB);
+ break;
+ case eNR_INL0402:
+ FUNC(inl0402,INL0402)(COMMON_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_TYPEB SOFTCORE_ARGS);
+ break;
+ case eNR_INL1000:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl1000_sse(ASM_COMMON_ARGS ASM_COUL_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl1000_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS);
+ else
+#endif
+ FUNC(inl1000,INL1000)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS);
+ break;
+ case eNR_INL1010:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl1010_sse(ASM_COMMON_ARGS ASM_COUL_ARGS SOLMN_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl1010_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS SOLMN_ARGS);
+ else
+#endif
+ FUNC(inl1010,INL1010)(COMMON_ARGS INVSQRT_S_BUF1 COUL_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL1020:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl1020_sse(ASM_COMMON_ARGS ASM_COUL_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl1020_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS);
+ else
+#endif
+ FUNC(inl1020,INL1020)(COMMON_ARGS INVSQRT_W_BUF1 COUL_ARGS);
+ break;
+ case eNR_INL1030:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl1030_sse(ASM_COMMON_ARGS ASM_COUL_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl1030_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS);
+ else
+#endif
+ FUNC(inl1030,INL1030)(COMMON_ARGS INVSQRT_WW_BUF1 COUL_ARGS);
+ break;
+ case eNR_INL1100:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl1100_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl1100_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS);
+ else
+#endif
+ FUNC(inl1100,INL1100)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS LJ_ARGS);
+ break;
+ case eNR_INL1110:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl1110_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS SOLMN_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl1110_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS SOLMN_ARGS);
+ else
+#endif
+ FUNC(inl1110,INL1110)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS LJ_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL1120:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl1120_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl1120_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS);
+ else
+#endif
+ FUNC(inl1120,INL1120)(COMMON_ARGS INVSQRT_W_BUF1 COUL_ARGS LJ_ARGS);
+ break;
+ case eNR_INL1130:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl1130_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl1130_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS);
+ else
+#endif
+ FUNC(inl1130,INL1130)(COMMON_ARGS INVSQRT_WW_BUF1 COUL_ARGS LJ_ARGS);
+ break;
+ case eNR_INL1200:
+ FUNC(inl1200,INL1200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS);
+ break;
+ case eNR_INL1210:
+ FUNC(inl1210,INL1210)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL1220:
+ FUNC(inl1220,INL1220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS);
+ break;
+ case eNR_INL1230:
+ FUNC(inl1230,INL1230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS);
+ break;
+ case eNR_INL1300:
+ FUNC(inl1300,INL1300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
+ break;
+ case eNR_INL1310:
+ FUNC(inl1310,INL1310)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL1320:
+ FUNC(inl1320,INL1320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
+ break;
+ case eNR_INL1330:
+ FUNC(inl1330,INL1330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
+ break;
+ case eNR_INL1400:
+ FUNC(inl1400,INL1400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INL1410:
+ FUNC(inl1410,INL1410)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL1420:
+ FUNC(inl1420,INL1420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INL1430:
+ FUNC(inl1430,INL1430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INL2000:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl2000_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_RF_ARGS);
+ else
+#endif
+ FUNC(inl2000,INL2000)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS);
+ break;
+ case eNR_INL2010:
+ FUNC(inl2010,INL2010)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL2020:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl2020_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_RF_ARGS);
+ else
+#endif
+ FUNC(inl2020,INL2020)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS);
+ break;
+ case eNR_INL2030:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl2030_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_RF_ARGS);
+ else
+#endif
+ FUNC(inl2030,INL2030)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS);
+ break;
+ case eNR_INL2100:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl2100_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_RF_ARGS ASM_LJ_ARGS);
+ else
+#endif
+ FUNC(inl2100,INL2100)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+ break;
+ case eNR_INL2110:
+ FUNC(inl2110,INL2110)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS LJ_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL2120:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl2120_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_RF_ARGS ASM_LJ_ARGS);
+ else
+#endif
+ FUNC(inl2120,INL2120)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+ break;
+ case eNR_INL2130:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl2130_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_RF_ARGS ASM_LJ_ARGS);
+ else
+#endif
+ FUNC(inl2130,INL2130)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+ break;
+ case eNR_INL2200:
+ FUNC(inl2200,INL2200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+ break;
+ case eNR_INL2210:
+ FUNC(inl2210,INL2210)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS LJ_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL2220:
+ FUNC(inl2220,INL2220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+ break;
+ case eNR_INL2230:
+ FUNC(inl2230,INL2230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+ break;
+ case eNR_INL2300:
+ FUNC(inl2300,INL2300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
+ break;
+ case eNR_INL2310:
+ FUNC(inl2310,INL2310)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL2320:
+ FUNC(inl2320,INL2320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
+ break;
+ case eNR_INL2330:
+ FUNC(inl2330,INL2330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
+ break;
+ case eNR_INL2400:
+ FUNC(inl2400,INL2400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INL2410:
+ FUNC(inl2410,INL2410)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL2420:
+ FUNC(inl2420,INL2420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INL2430:
+ FUNC(inl2430,INL2430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INL3000:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3000_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3000_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+ FUNC(inl3000,INL3000)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS);
+ break;
+ case eNR_INL3001:
+ FUNC(inl3001,INL3001)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS FREE_ARGS FREE_CHARGEB);
+ break;
+ case eNR_INL3002:
+ FUNC(inl3002,INL3002)(COMMON_ARGS COUL_ARGS SOFTCORE_LJARGS COULTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
+ break;
+ case eNR_INL3010:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3010_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_COULTAB_ARGS SOLMN_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3010_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_COULTAB_ARGS SOLMN_ARGS);
+ else
+#endif
+ FUNC(inl3010,INL3010)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS COULTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL3020:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3020_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3020_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+ FUNC(inl3020,INL3020)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS COULTAB_ARGS);
+ break;
+ case eNR_INL3030:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3030_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3030_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+ FUNC(inl3030,INL3030)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS COULTAB_ARGS);
+ break;
+ case eNR_INL3100:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3100_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3100_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+ FUNC(inl3100,INL3100)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+ break;
+ case eNR_INL3110:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3110_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_COULTAB_ARGS SOLMN_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3110_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_COULTAB_ARGS SOLMN_ARGS);
+ else
+#endif
+ FUNC(inl3110,INL3110)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL3120:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3120_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3120_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+ FUNC(inl3120,INL3120)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+ break;
+ case eNR_INL3130:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3130_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3130_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_COULTAB_ARGS);
+ else
+#endif
+ FUNC(inl3130,INL3130)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+ break;
+ case eNR_INL3200:
+ FUNC(inl3200,INL3200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+ break;
+ case eNR_INL3210:
+ FUNC(inl3210,INL3210)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL3220:
+ FUNC(inl3220,INL3220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+ break;
+ case eNR_INL3230:
+ FUNC(inl3230,INL3230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+ break;
+ case eNR_INL3300:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3300_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_LJCTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3300_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_LJCTAB_ARGS);
+ else
+#endif
+ FUNC(inl3300,INL3300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
+ break;
+ case eNR_INL3301:
+ FUNC(inl3301,INL3301)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
+ break;
+ case eNR_INL3302:
+ FUNC(inl3302,INL3302)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
+ break;
+ case eNR_INL3310:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3310_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_LJCTAB_ARGS SOLMN_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3310_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_LJCTAB_ARGS SOLMN_ARGS);
+ else
+#endif
+ FUNC(inl3310,INL3310)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL3320:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3320_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_LJCTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3320_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_LJCTAB_ARGS);
+ else
+#endif
+ FUNC(inl3320,INL3320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
+ break;
+ case eNR_INL3330:
+#if (defined USE_SSE && !defined DOUBLE)
+ if(cpu_capabilities & X86_SSE_SUPPORT)
+ inl3330_sse(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_LJCTAB_ARGS);
+ else
+#endif
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3330_3dnow(ASM_COMMON_ARGS ASM_COUL_ARGS ASM_LJ_ARGS ASM_LJCTAB_ARGS);
+ else
+#endif
+ FUNC(inl3330,INL3330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
+ break;
+ case eNR_INL3400:
+ FUNC(inl3400,INL3400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INL3401:
+ FUNC(inl3401,INL3401)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
+ break;
+ case eNR_INL3402:
+ FUNC(inl3402,INL3402)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
+ break;
+ case eNR_INL3410:
+ FUNC(inl3410,INL3410)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
+ break;
+ case eNR_INL3420:
+ FUNC(inl3420,INL3420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INL3430:
+ FUNC(inl3430,INL3430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
+ break;
+ case eNR_INLNONE:
+ fatal_error(0,"nrnb_ind is \"NONE\", bad selection made in ns.c");
+ default:
+ fatal_error(0,"No function corresponding to %s in %s `line' %d",
+ nrnb_str(nrnb_ind),__FILE__,__LINE__);
+ }
+ /* Mega flops accounting */
+ if (nlist->solvent==esolWATER)
+ inc_nrnb(nrnb,eNR_INL_IATOM,3*nlist->nri);
+ else if (nlist->solvent==esolWATERWATER)
+ inc_nrnb(nrnb,eNR_INL_IATOM,9*nlist->nri);
+ else if (nlist->solvent!=esolMNO)
+ inc_nrnb(nrnb,eNR_INL_IATOM,nlist->nri);
+
+
+ if (nlist->solvent==esolMNO) {
+ switch(nrnb_ind) {
+ case eNR_INL1110:
+ case eNR_INL1210:
+ case eNR_INL1310:
+ case eNR_INL1410:
+ case eNR_INL2110:
+ case eNR_INL2210:
+ case eNR_INL2310:
+ case eNR_INL2410:
+ case eNR_INL3110:
+ case eNR_INL3210:
+ case eNR_INL3310:
+ case eNR_INL3410:
+ /* vdwc loops */
+ nav = fr->nMNOav[0];
+ inc_nrnb(nrnb,eNR_INL_IATOM,nav*nlist->nri);
+ inc_nrnb(nrnb,nrnb_ind,nav*nlist->nrj);
+ break;
+ case eNR_INL1010:
+ case eNR_INL2010:
+ case eNR_INL3010:
+ /* coul loops */
+ nav = fr->nMNOav[0];
+ inc_nrnb(nrnb,eNR_INL_IATOM,nav*nlist->nri);
+ inc_nrnb(nrnb,nrnb_ind,nav*nlist->nrj);
+ break;
+ case eNR_INL0110:
+ case eNR_INL0210:
+ case eNR_INL0310:
+ case eNR_INL0410:
+ /* vdw loops */
+ nav = fr->nMNOav[0];
+ inc_nrnb(nrnb,eNR_INL_IATOM,nav*nlist->nri);
+ inc_nrnb(nrnb,nrnb_ind,nav*nlist->nrj);
+ break;
+ default:
+ fatal_error(0,"MFlops accounting wrong in %s, %d, nrnb_ind = %d",
+ __FILE__,__LINE__,nrnb_ind);
+ }
+ }
+ else
+ inc_nrnb(nrnb,nrnb_ind,nlist->nrj);
+ }
+ }
+}
+
+static real dist2(rvec x,rvec y)
+{
+ rvec dx;
+
+ rvec_sub(x,y,dx);
+
+ return iprod(dx,dx);
+}
+
+static real *mk_14parm(int ntype,int nbonds,t_iatom iatoms[],
+ t_iparams *iparams,int type[])
+{
+ /* This routine fills a matrix with interaction parameters for
+ * 1-4 interaction. It is assumed that these are atomtype dependent
+ * only... (but this is checked for...)
+ */
+ real *nbfp,c6sav,c12sav;
+ int i,ip,ti,tj;
+
+ snew(nbfp,2*ntype*ntype);
+ for(i=0; (i<nbonds); i+= 3) {
+ ip = iatoms[i];
+ ti = type[iatoms[i+1]];
+ tj = type[iatoms[i+2]];
+ c6sav = C6(nbfp,ntype,ti,tj);
+ c12sav = C12(nbfp,ntype,ti,tj);
+ C6(nbfp,ntype,ti,tj) = iparams[ip].lj14.c6A;
+ C12(nbfp,ntype,ti,tj) = iparams[ip].lj14.c12A;
+ if ((c6sav != 0) || (c12sav != 0)) {
+ if ((c6sav != C6(nbfp,ntype,ti,tj)) ||
+ (c12sav != C12(nbfp,ntype,ti,tj))) {
+ fatal_error(0,"Force field inconsistency: 1-4 interaction parameters "
+ "for atoms %d-%d not the same as for other atoms "
+ "with the same atom type",iatoms[i+1],iatoms[i+2]);
+ }
+ }
+ }
+
+
+
+ return nbfp;
+}
+
+
+
+real do_14(int nbonds,t_iatom iatoms[],t_iparams *iparams,
+ rvec x[],rvec f[],t_forcerec *fr,t_graph *g,
+ matrix box,real lambda,real *dvdlambda,
+ t_mdatoms *md,int ngrp,real egnb[],real egcoul[])
+{
+ static real *nbfp14=NULL;
+ static bool bWarn=FALSE;
+ real eps;
+ real r2,rtab2;
+ rvec fi,fj;
+ int ai,aj,itype;
+ t_iatom *ia0,*iatom;
+ int gid,shift14;
+ int j_index[] = { 0, 1 };
+ int i1=1,i3=3,si,i0;
+ ivec dt;
+#ifdef USE_VECTOR
+ if (fbuf == NULL)
+ snew(fbuf,md->nr*3);
+#endif
+
+/* We don't do SSE here, due to large overhead for 4-fold unrolling on short lists */
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities==UNKNOWN_CPU)
+ cpu_capabilities=check_x86cpu(NULL);
+#endif
+
+ if (nbfp14 == NULL) {
+ nbfp14 = mk_14parm(fr->ntype,nbonds,iatoms,iparams,md->typeA);
+ if (debug)
+ pr_rvec(debug,0,"nbfp14",nbfp14,sqr(fr->ntype));
+ }
+ shift14 = CENTRAL;
+
+ /* Reaction field stuff */
+ eps = fr->epsfac*fr->fudgeQQ;
+
+ rtab2 = sqr(fr->rtab);
+
+ ia0=iatoms;
+
+ for(iatom=ia0; (iatom<ia0+nbonds); iatom+=3) {
+ itype = iatom[0];
+ ai = iatom[1];
+ aj = iatom[2];
+
+ r2 = distance2(x[ai],x[aj]);
+ copy_rvec(f[ai],fi);
+ copy_rvec(f[aj],fj);
+
+
+/* We do not check if the neighbourlists fit in the buffer here, since I cant imagine
+ * a particle having so many 1-4 interactions :-) /EL
+ */
+
+ if (r2 >= rtab2) {
+ if (!bWarn) {
+ fprintf(stderr,"Warning: 1-4 interaction at distance larger than %g\n",
+ rtab2);
+ fprintf(stderr,"These are ignored for the rest of the simulation\n"
+ "turn on -debug for more information\n");
+ bWarn = TRUE;
+ }
+ if (debug)
+ fprintf(debug,"%8f %8f %8f\n%8f %8f %8f\n1-4 (%d,%d) interaction not within cut-off! r=%g. Ignored",
+ x[ai][XX],x[ai][YY],x[ai][ZZ],
+ x[aj][XX],x[aj][YY],x[aj][ZZ],
+ (int)ai+1,(int)aj+1,sqrt(r2));
+ }
+ else {
+ gid = GID(md->cENER[ai],md->cENER[aj],ngrp);
+#ifdef DEBUG
+ fprintf(debug,"LJ14: grp-i=%2d, grp-j=%2d, ngrp=%2d, GID=%d\n",
+ md->cENER[ai],md->cENER[aj],ngrp,gid);
+#endif
+
+ if (md->bPerturbed[ai] || md->bPerturbed[aj]) {
+ int tiA,tiB,tjA,tjB;
+ real nbfp[18];
+
+ /* Save old types */
+ tiA = md->typeA[ai];
+ tiB = md->typeB[ai];
+ tjA = md->typeA[aj];
+ tjB = md->typeB[aj];
+ md->typeA[ai] = 0;
+ md->typeB[ai] = 1;
+ md->typeA[aj] = 2;
+ md->typeB[aj] = 3;
+
+ /* Set nonbonded params */
+ C6(nbfp,4,0,2) = iparams[itype].lj14.c6A;
+ C6(nbfp,4,1,2) = iparams[itype].lj14.c6B;
+ C12(nbfp,4,0,2) = iparams[itype].lj14.c12A;
+ C12(nbfp,4,1,2) = iparams[itype].lj14.c12B;
+
+#undef COMMON_ARGS
+#define COMMON_ARGS SCAL(i1),&ai,j_index,&aj,&shift14,fr->shift_vec[0],fr->fshift[0],&gid ,x[0],f[0]
+
+ if(fr->sc_alpha>0)
+#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_S || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined USE_THREADS)
+ FUNC(inl3302n,INL3302N)(COMMON_ARGS FBUF_ARG /* special version without some optimizations */
+#else
+ FUNC(inl3302,INL3302)(COMMON_ARGS FBUF_ARG /* use normal innerloop */
+#endif
+ ,md->chargeA,SCAL(eps),egcoul
+ ,md->typeA,SCAL(i3),nbfp,egnb,
+ SCAL(fr->tabscale),fr->coulvdw14tab,
+ SCAL(lambda),dvdlambda,md->chargeB,md->typeB,SCAL(fr->sc_alpha),SCAL(fr->sc_sigma6));
+ else
+#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_S || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined USE_THREADS)
+ FUNC(inl3301n,INL3301N)(COMMON_ARGS FBUF_ARG /* special version without some optimizations */
+#else
+ FUNC(inl3301,INL3301)(COMMON_ARGS FBUF_ARG /* use normal innerloop */
+#endif
+ ,md->chargeA,SCAL(eps),egcoul
+ ,md->typeA,SCAL(i3),nbfp,egnb,
+ SCAL(fr->tabscale),fr->coulvdw14tab,
+ SCAL(lambda),dvdlambda,md->chargeB,md->typeB);
+ /* Restore old types */
+ md->typeA[ai] = tiA;
+ md->typeB[ai] = tiB;
+ md->typeA[aj] = tjA;
+ md->typeB[aj] = tjB;
+ }
+ else
+#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_S || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined USE_THREADS)
+ FUNC(inl3300n,INL3300N)(COMMON_ARGS FBUF_ARG /* special version without some optimizations */
+#else
+#if (defined USE_3DNOW && !defined DOUBLE)
+ if(cpu_capabilities & X86_3DNOW_SUPPORT)
+ inl3300_3dnow(i1,&ai,j_index,&aj,&shift14,fr->shift_vec[0],fr->fshift[0],
+ &gid ,x[0],f[0] FBUF_ARG
+ ,md->chargeA,eps,egcoul,md->typeA,fr->ntype,
+ nbfp14,egnb,fr->tabscale,fr->coulvdw14tab);
+ else
+#endif /* 3dnow */
+ FUNC(inl3300,INL3300)(COMMON_ARGS FBUF_ARG /* use normal innerloop */
+#endif
+ ,md->chargeA,SCAL(eps),egcoul,md->typeA,SCAL(fr->ntype),
+ nbfp14,egnb,SCAL(fr->tabscale),fr->coulvdw14tab);
+
+ /* Now determine the 1-4 force in order to add it to the fshift array
+ * Actually we are first computing minus the force.
+ */
+
+ rvec_sub(f[ai],fi,fi);
+ /*rvec_sub(f[aj],fj,fj); */
+
+ ivec_sub(SHIFT_IVEC(g,ai),SHIFT_IVEC(g,aj),dt);
+ si=IVEC2IS(dt);
+
+ rvec_inc(fr->fshift[si],fi);
+ rvec_dec(fr->fshift[CENTRAL],fi);
+ }
+ }
+ return 0.0;
+}
+
+++ /dev/null
-/*
- * $Id$
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 2.0
- *
- * Copyright (c) 1991-1999
- * BIOSON Research Institute, Dept. of Biophysical Chemistry
- * University of Groningen, The Netherlands
- *
- * Please refer to:
- * GROMACS: A message-passing parallel molecular dynamics implementation
- * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
- * Comp. Phys. Comm. 91, 43-56 (1995)
- *
- * Also check out our WWW page:
- * http://rugmd0.chem.rug.nl/~gmx
- * or e-mail to:
- * gromacs@chem.rug.nl
- *
- * And Hey:
- * GROningen MAchine for Chemical Simulation
- */
-
-/********************************************************
- * fnbf.c IS A GENERATED FILE DO NOT EDIT *
- * edit fnbf.m4 instead *
- ********************************************************/
-
-static char *SRCID_fnbf_c = "$Id$";
-#ifdef USE_THREADS
-#include <pthread.h> /* must come first! */
-#endif
-#include <stdio.h>
-#include "typedefs.h"
-#include "txtdump.h"
-#include "smalloc.h"
-#include "ns.h"
-#include "vec.h"
-#include "maths.h"
-#include "macros.h"
-#include "force.h"
-#include "names.h"
-#include "main.h"
-#include "xvgr.h"
-#include "fatal.h"
-#include "physics.h"
-#include "force.h"
-#include "inner.h"
-#include "nrnb.h"
-#include "smalloc.h"
-#include "x86cpu.h"
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
-#include "inner_3dnow.h"
-#include "inner_sse.h"
-#endif
-
-#ifdef USE_VECTOR
-static real *fbuf=NULL;
-#endif
-
-int x86cpu = X86_NOTCHECKED;
-
-void do_fnbf(FILE *log,t_commrec *cr,t_forcerec *fr,
- rvec x[],rvec f[],t_mdatoms *mdatoms,
- real egnb[],real egcoul[],rvec box_size,
- t_nrnb *nrnb,real lambda,real *dvdlambda,
- bool bLR,int eNL)
-{
- t_nblist *nlist;
- real *fshift,nav;
- int i,i0,i1,nrnb_ind,sz;
- bool bWater;
- FILE *fp;
-#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined VECTORIZE_RECIP)
-static int buflen=0;
-static real *drbuf=NULL;
-static real *buf1=NULL;
-static real *buf2=NULL;
-static real *_buf1=NULL;
-static real *_buf2=NULL;
-#endif
-
-#ifdef USE_VECTOR
- if (fbuf == NULL)
- snew(fbuf,mdatoms->nr*3);
-#endif
-
-#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined VECTORIZE_RECIP)
- if (buflen==0) {
- buflen=VECTORIZATION_BUFLENGTH;
- snew(drbuf,3*buflen);
- snew(_buf1,buflen+31);
- snew(_buf2,buflen+31);
- /* use cache aligned buffer pointers */
- buf1=(real *) ( ( (unsigned long int)_buf1 + 31 ) & (~0x1f) );
- buf2=(real *) ( ( (unsigned long int)_buf2 + 31 ) & (~0x1f) );
- fprintf(log,"Using buffers of length %d for innerloop vectorization.\n",buflen);
- }
-#endif
-
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_NOTCHECKED)
- x86cpu=check_x86cpu(log);
-#endif
- if (eNL >= 0) {
- i0 = eNL;
- i1 = i0+1;
- }
- else {
- i0 = 0;
- i1 = eNL_NR;
- }
- if (bLR)
- fshift = fr->fshift_twin[0];
- else
- fshift = fr->fshift[0];
-
- for(i=i0; (i<i1); i++) {
- if (bLR)
- nlist = &(fr->nlist_lr[i]);
- else
- nlist = &(fr->nlist_sr[i]);
-
- if (nlist->nri > 0) {
- nrnb_ind = nlist->il_code;
-
-#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined VECTORIZE_RECIP)
- /* make sure buffers can hold the longest neighbourlist */
- if (nlist->solvent==esolWATERWATER)
- sz = 9*nlist->maxlen;
- else if (nlist->solvent==esolWATER)
- sz = 3*nlist->maxlen;
- else
- sz = nlist->maxlen;
-
- if (sz>buflen) {
- buflen=(sz+100); /* use some extra size to avoid reallocating next step */
- srenew(drbuf,3*buflen);
- srenew(_buf1,buflen+31);
- srenew(_buf2,buflen+31);
- /* make cache aligned buffer pointers */
- buf1=(real *) ( ( (unsigned long int)_buf1 + 31 ) & (~0x1f) );
- buf2=(real *) ( ( (unsigned long int)_buf2 + 31 ) & (~0x1f) );
- }
-#endif
-
-
-/* This is NOT very pretty... Ideally, the calling sequence should change automatically,
- * i.e. be generated by mkinl. Oh well, later... /EL 000826
- */
-
-ifdef(`VECTORIZE_INVSQRT_WW',`define(`VECTORIZE_INVSQRT_W')')
-ifdef(`VECTORIZE_INVSQRT_W',`define(`VECTORIZE_INVSQRT')')
-
-define(`COMMON_ARGS',`SCAL(nlist->nri),nlist->iinr,nlist->jindex,nlist->jjnr,nlist->`shift',fr->shift_vec[0],fshift,nlist->gid ,x[0],f[0] ifdef(`USE_VECTOR',`,fbuf') ifdef(`USE_THREADS',`,SCAL(cr->threadid),SCAL(cr->nthreads),&(nlist->count),nlist->mtx')')
-define(`REC_BUF',`ifdef(`VECTORIZE_RECIP',`,drbuf,buf1 ifdef(`USE_VECTOR',`,buf2')') ifdef(`USE_VECTOR',`,buf2')')
-define(`INVSQRT_BUF1',`ifdef(`VECTORIZE_INVSQRT',`,drbuf,buf1 ifdef(`USE_VECTOR',`,buf2')')')
-define(`INVSQRT_BUF2',`ifdef(`VECTORIZE_INVSQRT',`ifdef(`USE_VECTOR',`',`,buf2')')')
-define(`INVSQRT_W_BUF1',`ifdef(`VECTORIZE_INVSQRT_W',`,drbuf,buf1 ifdef(`USE_VECTOR',`,buf2')')')
-define(`INVSQRT_W_BUF2',`ifdef(`VECTORIZE_INVSQRT_W',`ifdef(`USE_VECTOR',`',`,buf2')')')
-define(`INVSQRT_WW_BUF1',`ifdef(`VECTORIZE_INVSQRT_WW',`,drbuf,buf1 ifdef(`USE_VECTOR',`,buf2')')')
-define(`INVSQRT_WW_BUF2',`ifdef(`VECTORIZE_INVSQRT_WW',`ifdef(`USE_VECTOR',`',`,buf2')')')
-define(`LJ_ARGS',`,mdatoms->typeA, SCAL(fr->ntype),fr->nbfp,egnb')
-define(`COUL_ARGS',`,mdatoms->chargeA, SCAL(fr->epsfac),egcoul')
-define(`SOFTCORE_LJARGS',`,mdatoms->typeA, SCAL(fr->ntype),fr->nbfp')
-define(`RF_ARGS',`,SCAL(fr->k_rf),SCAL(fr->c_rf)')
-define(`LJCTAB_ARGS',`,SCAL(fr->tabscale),fr->coulvdwtab')
-define(`COULTAB_ARGS',`,SCAL(fr->tabscale),fr->coultab')
-define(`LJTAB_ARGS',`,SCAL(fr->tabscale),fr->vdwtab')
-define(`BHTAB_ARGS',`,SCAL(fr->tabscale_exp)')
-define(`FREE_ARGS',`,SCAL(lambda),dvdlambda')
-define(`FREE_CHARGEB',`,mdatoms->chargeB')
-define(`FREE_TYPEB',`,mdatoms->typeB')
-define(`SOFTCORE_ARGS',`,SCAL(fr->sc_alpha),SCAL(fr->sc_sigma6)')
-define(`SOLMN_ARGS',`,nlist->nsatoms')
-
- switch (nrnb_ind) {
- case eNR_INL0100:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl0100_3dnow(COMMON_ARGS LJ_ARGS);
- else if(x86cpu==X86_SSE)
- inl0100_sse(COMMON_ARGS LJ_ARGS);
- else
-#endif
- FUNC(inl0100)(COMMON_ARGS REC_BUF LJ_ARGS);
- break;
- case eNR_INL0110:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl0110_3dnow(COMMON_ARGS LJ_ARGS SOLMN_ARGS);
- else if(x86cpu==X86_SSE)
- inl0110_sse(COMMON_ARGS LJ_ARGS SOLMN_ARGS);
- else
-#endif
- FUNC(inl0110)(COMMON_ARGS REC_BUF LJ_ARGS SOLMN_ARGS);
- break;
- case eNR_INL0200:
- FUNC(inl0200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS);
- break;
- case eNR_INL0210:
- FUNC(inl0210)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS SOLMN_ARGS);
- break;
- case eNR_INL0300:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl0300_3dnow(COMMON_ARGS LJ_ARGS LJTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl0300_sse(COMMON_ARGS LJ_ARGS LJTAB_ARGS);
- else
-#endif
- FUNC(inl0300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS);
- break;
- case eNR_INL0310:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl0310_3dnow(COMMON_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
- else if(x86cpu==X86_SSE)
- inl0310_sse(COMMON_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
- else
-#endif
- FUNC(inl0310)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL0301:
- FUNC(inl0301)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS FREE_ARGS FREE_TYPEB);
- break;
- case eNR_INL0302:
- FUNC(inl0302)(COMMON_ARGS LJ_ARGS LJTAB_ARGS FREE_ARGS FREE_TYPEB SOFTCORE_ARGS);
- break;
- case eNR_INL0400:
- FUNC(inl0400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INL0410:
- FUNC(inl0410)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL0401:
- FUNC(inl0401)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_TYPEB);
- break;
- case eNR_INL0402:
- FUNC(inl0402)(COMMON_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_TYPEB SOFTCORE_ARGS);
- break;
- case eNR_INL1000:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl1000_3dnow(COMMON_ARGS COUL_ARGS);
- else if(x86cpu==X86_SSE)
- inl1000_sse(COMMON_ARGS COUL_ARGS);
- else
-#endif
- FUNC(inl1000)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS);
- break;
- case eNR_INL1010:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl1010_3dnow(COMMON_ARGS COUL_ARGS SOLMN_ARGS);
- else if(x86cpu==X86_SSE)
- inl1010_sse(COMMON_ARGS COUL_ARGS SOLMN_ARGS);
- else
-#endif
- FUNC(inl1010)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS SOLMN_ARGS);
- break;
- case eNR_INL1020:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl1020_3dnow(COMMON_ARGS COUL_ARGS);
- else if(x86cpu==X86_SSE)
- inl1020_sse(COMMON_ARGS COUL_ARGS);
- else
-#endif
- FUNC(inl1020)(COMMON_ARGS INVSQRT_W_BUF1 COUL_ARGS);
- break;
- case eNR_INL1030:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl1030_3dnow(COMMON_ARGS COUL_ARGS);
- else if(x86cpu==X86_SSE)
- inl1030_sse(COMMON_ARGS COUL_ARGS);
- else
-#endif
- FUNC(inl1030)(COMMON_ARGS INVSQRT_WW_BUF1 COUL_ARGS);
- break;
- case eNR_INL1100:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl1100_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS);
- else if(x86cpu==X86_SSE)
- inl1100_sse(COMMON_ARGS COUL_ARGS LJ_ARGS);
- else
-#endif
- FUNC(inl1100)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS LJ_ARGS);
- break;
- case eNR_INL1110:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl1110_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS SOLMN_ARGS);
- else if(x86cpu==X86_SSE)
- inl1110_sse(COMMON_ARGS COUL_ARGS LJ_ARGS SOLMN_ARGS);
- else
-#endif
- FUNC(inl1110)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS LJ_ARGS SOLMN_ARGS);
- break;
- case eNR_INL1120:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl1120_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS);
- else if(x86cpu==X86_SSE)
- inl1120_sse(COMMON_ARGS COUL_ARGS LJ_ARGS);
- else
-#endif
- FUNC(inl1120)(COMMON_ARGS INVSQRT_W_BUF1 COUL_ARGS LJ_ARGS);
- break;
- case eNR_INL1130:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl1130_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS);
- else if(x86cpu==X86_SSE)
- inl1130_sse(COMMON_ARGS COUL_ARGS LJ_ARGS);
- else
-#endif
- FUNC(inl1130)(COMMON_ARGS INVSQRT_WW_BUF1 COUL_ARGS LJ_ARGS);
- break;
- case eNR_INL1200:
- FUNC(inl1200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS);
- break;
- case eNR_INL1210:
- FUNC(inl1210)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS SOLMN_ARGS);
- break;
- case eNR_INL1220:
- FUNC(inl1220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS);
- break;
- case eNR_INL1230:
- FUNC(inl1230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS);
- break;
- case eNR_INL1300:
- FUNC(inl1300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
- break;
- case eNR_INL1310:
- FUNC(inl1310)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL1320:
- FUNC(inl1320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
- break;
- case eNR_INL1330:
- FUNC(inl1330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
- break;
- case eNR_INL1400:
- FUNC(inl1400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INL1410:
- FUNC(inl1410)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL1420:
- FUNC(inl1420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INL1430:
- FUNC(inl1430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INL2000:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_SSE)
- inl2000_sse(COMMON_ARGS COUL_ARGS RF_ARGS);
- else
-#endif
- FUNC(inl2000)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS);
- break;
- case eNR_INL2010:
- FUNC(inl2010)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS SOLMN_ARGS);
- break;
- case eNR_INL2020:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_SSE)
- inl2020_sse(COMMON_ARGS COUL_ARGS RF_ARGS);
- else
-#endif
- FUNC(inl2020)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS);
- break;
- case eNR_INL2030:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_SSE)
- inl2030_sse(COMMON_ARGS COUL_ARGS RF_ARGS);
- else
-#endif
- FUNC(inl2030)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS);
- break;
- case eNR_INL2100:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_SSE)
- inl2100_sse(COMMON_ARGS COUL_ARGS RF_ARGS LJ_ARGS);
- else
-#endif
- FUNC(inl2100)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
- break;
- case eNR_INL2110:
- FUNC(inl2110)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS SOLMN_ARGS);
- break;
- case eNR_INL2120:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_SSE)
- inl2120_sse(COMMON_ARGS COUL_ARGS RF_ARGS LJ_ARGS);
- else
-#endif
- FUNC(inl2120)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
- break;
- case eNR_INL2130:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_SSE)
- inl2130_sse(COMMON_ARGS COUL_ARGS RF_ARGS LJ_ARGS);
- else
-#endif
- FUNC(inl2130)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
- break;
- case eNR_INL2200:
- FUNC(inl2200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
- break;
- case eNR_INL2210:
- FUNC(inl2210)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS SOLMN_ARGS);
- break;
- case eNR_INL2220:
- FUNC(inl2220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
- break;
- case eNR_INL2230:
- FUNC(inl2230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
- break;
- case eNR_INL2300:
- FUNC(inl2300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
- break;
- case eNR_INL2310:
- FUNC(inl2310)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL2320:
- FUNC(inl2320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
- break;
- case eNR_INL2330:
- FUNC(inl2330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
- break;
- case eNR_INL2400:
- FUNC(inl2400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INL2410:
- FUNC(inl2410)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL2420:
- FUNC(inl2420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INL2430:
- FUNC(inl2430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INL3000:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3000_3dnow(COMMON_ARGS COUL_ARGS COULTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl3000_sse(COMMON_ARGS COUL_ARGS COULTAB_ARGS);
- else
-#endif
- FUNC(inl3000)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS);
- break;
- case eNR_INL3001:
- FUNC(inl3001)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS FREE_ARGS FREE_CHARGEB);
- break;
- case eNR_INL3002:
- FUNC(inl3002)(COMMON_ARGS COUL_ARGS SOFTCORE_LJARGS COULTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
- break;
- case eNR_INL3010:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3010_3dnow(COMMON_ARGS COUL_ARGS COULTAB_ARGS SOLMN_ARGS);
- else if(x86cpu==X86_SSE)
- inl3010_sse(COMMON_ARGS COUL_ARGS COULTAB_ARGS SOLMN_ARGS);
- else
-#endif
- FUNC(inl3010)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL3020:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3020_3dnow(COMMON_ARGS COUL_ARGS COULTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl3020_sse(COMMON_ARGS COUL_ARGS COULTAB_ARGS);
- else
-#endif
- FUNC(inl3020)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS COULTAB_ARGS);
- break;
- case eNR_INL3030:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3030_3dnow(COMMON_ARGS COUL_ARGS COULTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl3030_sse(COMMON_ARGS COUL_ARGS COULTAB_ARGS);
- else
-#endif
- FUNC(inl3030)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS COULTAB_ARGS);
- break;
- case eNR_INL3100:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3100_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS COULTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl3100_sse(COMMON_ARGS COUL_ARGS LJ_ARGS COULTAB_ARGS);
- else
-#endif
- FUNC(inl3100)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
- break;
- case eNR_INL3110:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3110_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
- else if(x86cpu==X86_SSE)
- inl3110_sse(COMMON_ARGS COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
- else
-#endif
- FUNC(inl3110)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL3120:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3120_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS COULTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl3120_sse(COMMON_ARGS COUL_ARGS LJ_ARGS COULTAB_ARGS);
- else
-#endif
- FUNC(inl3120)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
- break;
- case eNR_INL3130:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3130_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS COULTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl3130_sse(COMMON_ARGS COUL_ARGS LJ_ARGS COULTAB_ARGS);
- else
-#endif
- FUNC(inl3130)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
- break;
- case eNR_INL3200:
- FUNC(inl3200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
- break;
- case eNR_INL3210:
- FUNC(inl3210)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL3220:
- FUNC(inl3220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
- break;
- case eNR_INL3230:
- FUNC(inl3230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
- break;
- case eNR_INL3300:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3300_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl3300_sse(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS);
- else
-#endif
- FUNC(inl3300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
- break;
- case eNR_INL3301:
- FUNC(inl3301)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
- break;
- case eNR_INL3302:
- FUNC(inl3302)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
- break;
- case eNR_INL3310:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3310_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS SOLMN_ARGS);
- else if(x86cpu==X86_SSE)
- inl3310_sse(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS SOLMN_ARGS);
- else
-#endif
- FUNC(inl3310)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL3320:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3320_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl3320_sse(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS);
- else
-#endif
- FUNC(inl3320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
- break;
- case eNR_INL3330:
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3330_3dnow(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS);
- else if(x86cpu==X86_SSE)
- inl3330_sse(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS);
- else
-#endif
- FUNC(inl3330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
- break;
- case eNR_INL3400:
- FUNC(inl3400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INL3401:
- FUNC(inl3401)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
- break;
- case eNR_INL3402:
- FUNC(inl3402)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
- break;
- case eNR_INL3410:
- FUNC(inl3410)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
- break;
- case eNR_INL3420:
- FUNC(inl3420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INL3430:
- FUNC(inl3430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
- break;
- case eNR_INLNONE:
- fatal_error(0,"nrnb_ind is \"NONE\", bad selection made in ns.c");
- default:
- fatal_error(0,"No function corresponding to %s in %s `line' %d",
- nrnb_str(nrnb_ind),__FILE__,__LINE__);
- }
- /* Mega flops accounting */
- if (nlist->solvent==esolWATER)
- inc_nrnb(nrnb,eNR_INL_IATOM,3*nlist->nri);
- else if (nlist->solvent==esolWATERWATER)
- inc_nrnb(nrnb,eNR_INL_IATOM,9*nlist->nri);
- else if (nlist->solvent!=esolMNO)
- inc_nrnb(nrnb,eNR_INL_IATOM,nlist->nri);
-
-
- if (nlist->solvent==esolMNO) {
- switch(nrnb_ind) {
- case eNR_INL1110:
- case eNR_INL1210:
- case eNR_INL1310:
- case eNR_INL1410:
- case eNR_INL2110:
- case eNR_INL2210:
- case eNR_INL2310:
- case eNR_INL2410:
- case eNR_INL3110:
- case eNR_INL3210:
- case eNR_INL3310:
- case eNR_INL3410:
- /* vdwc loops */
- nav = fr->nMNOav[0];
- inc_nrnb(nrnb,eNR_INL_IATOM,nav*nlist->nri);
- inc_nrnb(nrnb,nrnb_ind,nav*nlist->nrj);
- break;
- case eNR_INL1010:
- case eNR_INL2010:
- case eNR_INL3010:
- /* coul loops */
- nav = fr->nMNOav[0];
- inc_nrnb(nrnb,eNR_INL_IATOM,nav*nlist->nri);
- inc_nrnb(nrnb,nrnb_ind,nav*nlist->nrj);
- break;
- case eNR_INL0110:
- case eNR_INL0210:
- case eNR_INL0310:
- case eNR_INL0410:
- /* vdw loops */
- nav = fr->nMNOav[0];
- inc_nrnb(nrnb,eNR_INL_IATOM,nav*nlist->nri);
- inc_nrnb(nrnb,nrnb_ind,nav*nlist->nrj);
- break;
- default:
- fatal_error(0,"MFlops accounting wrong in %s, %d, nrnb_ind = %d",
- __FILE__,__LINE__,nrnb_ind);
- }
- }
- else
- inc_nrnb(nrnb,nrnb_ind,nlist->nrj);
- }
- }
-}
-
-static real dist2(rvec x,rvec y)
-{
- rvec dx;
-
- rvec_sub(x,y,dx);
-
- return iprod(dx,dx);
-}
-
-static real *mk_14parm(int ntype,int nbonds,t_iatom iatoms[],
- t_iparams *iparams,int type[])
-{
- /* This routine fills a matrix with interaction parameters for
- * 1-4 interaction. It is assumed that these are atomtype dependent
- * only... (but this is checked for...)
- */
- real *nbfp,c6sav,c12sav;
- int i,ip,ti,tj;
-
- snew(nbfp,2*ntype*ntype);
- for(i=0; (i<nbonds); i+= 3) {
- ip = iatoms[i];
- ti = type[iatoms[i+1]];
- tj = type[iatoms[i+2]];
- c6sav = C6(nbfp,ntype,ti,tj);
- c12sav = C12(nbfp,ntype,ti,tj);
- C6(nbfp,ntype,ti,tj) = iparams[ip].lj14.c6A;
- C12(nbfp,ntype,ti,tj) = iparams[ip].lj14.c12A;
- if ((c6sav != 0) || (c12sav != 0)) {
- if ((c6sav != C6(nbfp,ntype,ti,tj)) ||
- (c12sav != C12(nbfp,ntype,ti,tj))) {
- fatal_error(0,"Force field inconsistency: 1-4 interaction parameters "
- "for atoms %d-%d not the same as for other atoms "
- "with the same atom type",iatoms[i+1],iatoms[i+2]);
- }
- }
- }
-
-
-
- return nbfp;
-}
-
-
-
-real do_14(int nbonds,t_iatom iatoms[],t_iparams *iparams,
- rvec x[],rvec f[],t_forcerec *fr,t_graph *g,
- matrix box,real lambda,real *dvdlambda,
- t_mdatoms *md,int ngrp,real egnb[],real egcoul[])
-{
- static real *nbfp14=NULL;
- static bool bWarn=FALSE;
- real eps;
- real r2,rtab2;
- rvec fi,fj;
- int ai,aj,itype;
- t_iatom *ia0,*iatom;
- int gid,shift14;
- int j_index[] = { 0, 1 };
- int i1=1,i3=3,si,i0;
- ivec dt;
-#ifdef USEVECTOR
- if (fbuf == NULL)
- snew(fbuf,md->nr*3);
-#endif
-
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_NOTCHECKED)
- x86cpu=check_x86cpu(NULL);
-#endif
-
- if (nbfp14 == NULL) {
- nbfp14 = mk_14parm(fr->ntype,nbonds,iatoms,iparams,md->typeA);
- if (debug)
- pr_rvec(debug,0,"nbfp14",nbfp14,sqr(fr->ntype));
- }
- shift14 = CENTRAL;
-
- /* Reaction field stuff */
- eps = fr->epsfac*fr->fudgeQQ;
-
- rtab2 = sqr(fr->rtab);
-
- ia0=iatoms;
-
- for(iatom=ia0; (iatom<ia0+nbonds); iatom+=3) {
- itype = iatom[0];
- ai = iatom[1];
- aj = iatom[2];
-
-
- r2 = distance2(x[ai],x[aj]);
- copy_rvec(f[ai],fi);
- copy_rvec(f[aj],fj);
-
-
-/* We do not check if the neighbourlists fit in the buffer here, since I cant imagine
- * a particle having so many 1-4 interactions :-) /EL
- */
-
- if (r2 >= rtab2) {
- if (!bWarn) {
- fprintf(stderr,"Warning: 1-4 interaction at distance larger than %g\n",
- rtab2);
- fprintf(stderr,"These are ignored for the rest of the simulation\n"
- "turn on -debug for more information\n");
- bWarn = TRUE;
- }
- if (debug)
- fprintf(debug,"%8f %8f %8f\n%8f %8f %8f\n1-4 (%d,%d) interaction not within cut-off! r=%g. Ignored",
- x[ai][XX],x[ai][YY],x[ai][ZZ],
- x[aj][XX],x[aj][YY],x[aj][ZZ],
- (int)ai+1,(int)aj+1,sqrt(r2));
- }
- else {
- gid = GID(md->cENER[ai],md->cENER[aj],ngrp);
-#ifdef DEBUG
- fprintf(debug,"LJ14: grp-i=%2d, grp-j=%2d, ngrp=%2d, GID=%d\n",
- md->cENER[ai],md->cENER[aj],ngrp,gid);
-#endif
-
- if (md->bPerturbed[ai] || md->bPerturbed[aj]) {
- int tiA,tiB,tjA,tjB;
- real nbfp[18];
-
- /* Save old types */
- tiA = md->typeA[ai];
- tiB = md->typeB[ai];
- tjA = md->typeA[aj];
- tjB = md->typeB[aj];
- md->typeA[ai] = 0;
- md->typeB[ai] = 1;
- md->typeA[aj] = 2;
- md->typeB[aj] = 3;
-
- /* Set nonbonded params */
- C6(nbfp,4,0,2) = iparams[itype].lj14.c6A;
- C6(nbfp,4,1,2) = iparams[itype].lj14.c6B;
- C12(nbfp,4,0,2) = iparams[itype].lj14.c12A;
- C12(nbfp,4,1,2) = iparams[itype].lj14.c12B;
-
-
-define(`COMMON_ARGS',`SCAL(i1),&ai,j_index,&aj,&shift14,fr->shift_vec[0],fr->fshift[0],&gid ,x[0],f[0] ifdef(`USE_VECTOR',`,fbuf')')
-define(`COUL_ARGS',`,md->chargeA,SCAL(eps),egcoul')
-define(`LJCTAB_ARGS',`,SCAL(fr->tabscale),fr->coulvdw14tab')
-define(`LJ_ARGS',`,md->typeA,SCAL(fr->ntype),nbfp14,egnb')
-
-
- if(fr->sc_alpha>0)
-#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined USE_THREADS)
- FUNC(inl3302n)(COMMON_ARGS /* special version without some optimizations */
-#else
- FUNC(inl3302)(COMMON_ARGS /* use normal innerloop */
-#endif
- ,md->chargeA,SCAL(eps),egcoul
- ,md->typeA,SCAL(i3),nbfp,egnb,
- SCAL(fr->tabscale),fr->coulvdw14tab,
- SCAL(lambda),dvdlambda,md->chargeB,md->typeB,SCAL(fr->sc_alpha),SCAL(fr->sc_sigma6));
- else
-#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined USE_THREADS)
- FUNC(inl3301n)(COMMON_ARGS /* special version without some optimizations */
-#else
- FUNC(inl3301)(COMMON_ARGS /* use normal innerloop */
-#endif
- ,md->chargeA,SCAL(eps),egcoul
- ,md->typeA,SCAL(i3),nbfp,egnb,
- SCAL(fr->tabscale),fr->coulvdw14tab,
- SCAL(lambda),dvdlambda,md->chargeB,md->typeB);
-
- /* Restore old types */
- md->typeA[ai] = tiA;
- md->typeB[ai] = tiB;
- md->typeA[aj] = tjA;
- md->typeB[aj] = tjB;
- }
- else
-#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined USE_THREADS)
- FUNC(inl3300n)(COMMON_ARGS /* special version without some optimizations */
-#else
-#if (defined USE_SSE_AND_3DNOW && defined _lnx_ && !defined DOUBLE)
- if(x86cpu==X86_3DNOW)
- inl3300_3dnow(COMMON_ARGS ,md->chargeA,SCAL(eps),egcoul,md->typeA,SCAL(fr->ntype),
- nbfp14,egnb,SCAL(fr->tabscale),fr->coulvdw14tab);
- else
-#endif /* 3dnow */
- FUNC(inl3300)(COMMON_ARGS /* use normal innerloop */
-#endif
- ,md->chargeA,SCAL(eps),egcoul,md->typeA,SCAL(fr->ntype),
- nbfp14,egnb,SCAL(fr->tabscale),fr->coulvdw14tab);
-
- /* Now determine the 1-4 force in order to add it to the fshift array
- * Actually we are first computing minus the force.
- */
-
- rvec_sub(f[ai],fi,fi);
- /*rvec_sub(f[aj],fj,fj); */
-
- ivec_sub(SHIFT_IVEC(g,ai),SHIFT_IVEC(g,aj),dt);
- si=IVEC2IS(dt);
-
- rvec_inc(fr->fshift[si],fi);
- rvec_dec(fr->fshift[CENTRAL],fi);
- }
- }
- return 0.0;
-}
-
char *low_libfn(char *file,bool bFatal)
{
- static char *libdir="GMXLIB";
- char *ret=NULL,*lib;
+ char *ret=NULL;
+ char *lib;
static char buf[1024];
+ static char libdir[1024];
+ static int bFirst=1;
+
+ if(bFirst) {
+ if((lib=getenv("GMXLIB")) != NULL)
+ strcpy(libdir,lib);
+ else
+ strcpy(libdir,GMXLIBDIR);
+ bFirst=0;
+ }
if (fexist(file))
ret=file;
else {
- if ((lib=getenv(libdir)) == NULL) {
- if (bFatal)
- fatal_error(0,"%s environment variable not set and file %s not found",
- libdir,file);
- else
- return NULL;
- }
- else {
- sprintf(buf,"%s/%s",lib,file);
- ret=buf;
- if (bFatal && !fexist(ret))
- fatal_error(0,"Library file %s found in current dir nor in libdir %s",
- ret,lib);
- }
+ sprintf(buf,"%s/%s",libdir,file);
+ ret=buf;
+ if (bFatal && !fexist(ret))
+ fatal_error(0,"Library file %s not found in current dir nor in libdir %s",
+ ret,libdir);
}
return ret;
+++ /dev/null
-ifdef(`USEF77',`define(`SCALARG',`*$1')',`define(`SCALARG',`$1')')
-ifdef(`USEF77',`define(`SCAL',`&($1)')',`define(`SCAL',`$1')')
-ifdef(`USEF77',`define(`FUNC',FUNCTION(`$1'))',`define(`FUNC',`$1')')
-
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# the HP Snake does nothing special to FORTRAN function names
-#
-# The preceding statement is not QUITE true.... If one invokes
-# certain options for the HP compiler, THEN subprogram names take
-# on the form.... "abcedf_" as opposed to "abcdef" as stated above.
-# There seems to be no clean solution. MY answer is to create TWO
-# separate libaries, one WITH underscores in the names and one WITHOUT.
-# Each routinme is compiled twice, once with an underscore in the
-# routine name and once without. Thus, each ".o" file actually
-# contains two routines. The resulting library lets the loader
-# pick and choose whichever the perverted HP system wants at THAT
-# particular time..... -RWB 1/5/93
-define(`FUNCTION',ifdef(`USCORYES',`$1_',`$1'))
-
-#define(`FUNCTION',`$1')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# the HP Snake does nothing special to FORTRAN function names
-#
-# The preceding statement is not QUITE true.... If one invokes
-# certain options for the HP compiler, THEN subprogram names take
-# on the form.... "abcedf_" as opposed to "abcdef" as stated above.
-# There seems to be no clean solution. MY answer is to create TWO
-# separate libaries, one WITH underscores in the names and one WITHOUT.
-# Each routinme is compiled twice, once with an underscore in the
-# routine name and once without. Thus, each ".o" file actually
-# contains two routines. The resulting library lets the loader
-# pick and choose whichever the perverted HP system wants at THAT
-# particular time..... -RWB 1/5/93
-define(`FUNCTION',ifdef(`USCORYES',`$1_',`$1'))
-
-#define(`FUNCTION',`$1')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
--- /dev/null
+#ifndef _inner_h
+#define _inner_h
+#include <config.h>
+#include <callf77.h>
+
+#include "typedefs.h"
+
+#ifdef USE_VECTOR
+# define FBUF_ARG ,real fbuf[]
+#else
+# define FBUF_ARG
+#endif
+
+#ifdef USE_THREADS
+# define THREAD_ARGS ,int SCALARG(threadid),int SCALARG(nthreads), \
+ int *count,pthread_mutex_t *mtx
+#else
+# define THREAD_ARGS
+#endif
+
+#define COMMON_ARGS int SCALARG(nri),int iinr[],int jindex[], \
+ int jjnr[], int shift[],real shiftvec[], \
+ real fshift[],int gid[] ,real x[],real f[] \
+ FBUF_ARG THREAD_ARGS
+
+
+#ifdef VECTORIZE_RECIP
+# ifdef USE_VECTOR
+# define REC_BUF ,real drbuf[],real buf1[], real buf2[]
+# else /* no USE_VECTOR */
+# define REC_BUF ,real drbuf[],real buf1[]
+# endif
+#else /* no VECTORIZE_RECIP */
+# define REC_BUF
+#endif
+
+#ifdef USE_VECTOR
+# define INVSQRT_BUF_TEMPL1 ,real drbuf[],real buf1[],real buf2[]
+# define INVSQRT_BUF_TEMPL2
+#else /* no USE_VECTOR */
+# define INVSQRT_BUF_TEMPL1 ,real drbuf[],real buf1[]
+# define INVSQRT_BUF_TEMPL2 ,real buf2[]
+#endif
+
+
+#ifdef VECTORIZE_INVSQRT
+# define INVSQRT_BUF1 INVSQRT_BUF_TEMPL1
+# define INVSQRT_BUF2 INVSQRT_BUF_TEMPL2
+#else
+# define INVSQRT_BUF1
+# define INVSQRT_BUF2
+#endif
+
+#ifdef VECTORIZE_INVSQRT_S
+# define INVSQRT_S_BUF1 INVSQRT_BUF_TEMPL1
+# define INVSQRT_S_BUF2 INVSQRT_BUF_TEMPL2
+#else
+# define INVSQRT_S_BUF1
+# define INVSQRT_S_BUF2
+#endif
+
+#ifdef VECTORIZE_INVSQRT_W
+# define INVSQRT_W_BUF1 INVSQRT_BUF_TEMPL1
+# define INVSQRT_W_BUF2 INVSQRT_BUF_TEMPL2
+#else
+# define INVSQRT_W_BUF1
+# define INVSQRT_W_BUF2
+#endif
+
+#ifdef VECTORIZE_INVSQRT_WW
+# define INVSQRT_WW_BUF1 INVSQRT_BUF_TEMPL1
+# define INVSQRT_WW_BUF2 INVSQRT_BUF_TEMPL2
+#else
+# define INVSQRT_WW_BUF1
+# define INVSQRT_WW_BUF2
+#endif
+
+#define LJ_ARGS ,int typeA[],int SCALARG(ntype),real nbfp[],real egnb[]
+#define COUL_ARGS ,real chargeA[],real SCALARG(epsfac),real egcoul[]
+#define SOFTCORE_LJARGS ,int typeA[],int SCALARG(ntype),real nbfp[]
+#define RF_ARGS ,real SCALARG(krf),real SCALARG(crf)
+#define LJCTAB_ARGS ,real SCALARG(tabscale),real VFtab[]
+#define LJTAB_ARGS ,real SCALARG(tabscale),real VFtab[]
+#define COULTAB_ARGS ,real SCALARG(tabscale),real VFtab[]
+#define BHTAB_ARGS ,real SCALARG(tabscale_exp)
+#define FREE_ARGS ,real SCALARG(lambda),real *dvdlambda
+#define FREE_CHARGEB ,real chargeB[]
+#define FREE_TYPEB ,int typeB[]
+#define SOFTCORE_ARGS ,real SCALARG(sc_alpha),real SCALARG(defsigma6)
+#define SOLMN_ARGS ,int nsatoms[]
+
+
+
+void FUNC(inl0100,INL0100)(COMMON_ARGS REC_BUF LJ_ARGS);
+
+void FUNC(inl0110,INL0110)(COMMON_ARGS REC_BUF LJ_ARGS SOLMN_ARGS);
+
+void FUNC(inl0200,INL0200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS);
+
+void FUNC(inl0210,INL0210)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 LJ_ARGS SOLMN_ARGS);
+
+void FUNC(inl0300,INL0300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS);
+
+void FUNC(inl0310,INL0310)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl0301,INL0301)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS FREE_ARGS FREE_TYPEB);
+
+void FUNC(inl0302,INL0302)(COMMON_ARGS LJ_ARGS LJTAB_ARGS FREE_ARGS FREE_TYPEB SOFTCORE_ARGS);
+
+void FUNC(inl0400,INL0400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+
+void FUNC(inl0410,INL0410)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl0401,INL0401)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_TYPEB);
+
+void FUNC(inl0402,INL0402)(COMMON_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_TYPEB SOFTCORE_ARGS);
+
+void FUNC(inl1000,INL1000)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS);
+
+void FUNC(inl1010,INL1010)(COMMON_ARGS INVSQRT_S_BUF1 COUL_ARGS SOLMN_ARGS);
+
+void FUNC(inl1020,INL1020)(COMMON_ARGS INVSQRT_W_BUF1 COUL_ARGS);
+
+void FUNC(inl1030,INL1030)(COMMON_ARGS INVSQRT_WW_BUF1 COUL_ARGS);
+
+void FUNC(inl1100,INL1100)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS LJ_ARGS);
+
+void FUNC(inl1110,INL1110)(COMMON_ARGS INVSQRT_S_BUF1 COUL_ARGS LJ_ARGS SOLMN_ARGS);
+
+void FUNC(inl1120,INL1120)(COMMON_ARGS INVSQRT_W_BUF1 COUL_ARGS LJ_ARGS);
+
+void FUNC(inl1130,INL1130)(COMMON_ARGS INVSQRT_WW_BUF1 COUL_ARGS LJ_ARGS);
+
+void FUNC(inl1200,INL1200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS);
+
+void FUNC(inl1210,INL1210)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS SOLMN_ARGS);
+
+void FUNC(inl1220,INL1220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS);
+
+void FUNC(inl1230,INL1230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS);
+
+void FUNC(inl1300,INL1300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
+
+void FUNC(inl1310,INL1310)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl1320,INL1320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
+
+void FUNC(inl1330,INL1330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
+
+void FUNC(inl1400,INL1400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+
+void FUNC(inl1410,INL1410)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl1420,INL1420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+
+void FUNC(inl1430,INL1430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+
+void FUNC(inl2000,INL2000)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS);
+
+void FUNC(inl2010,INL2010)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS SOLMN_ARGS);
+
+void FUNC(inl2020,INL2020)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS);
+
+void FUNC(inl2030,INL2030)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS);
+
+void FUNC(inl2100,INL2100)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+
+void FUNC(inl2110,INL2110)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS LJ_ARGS SOLMN_ARGS);
+
+void FUNC(inl2120,INL2120)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+
+void FUNC(inl2130,INL2130)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+
+void FUNC(inl2200,INL2200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+
+void FUNC(inl2210,INL2210)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS LJ_ARGS SOLMN_ARGS);
+
+void FUNC(inl2220,INL2220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+
+void FUNC(inl2230,INL2230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
+
+void FUNC(inl2300,INL2300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
+
+void FUNC(inl2310,INL2310)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl2320,INL2320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
+
+void FUNC(inl2330,INL2330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
+
+void FUNC(inl2400,INL2400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+
+void FUNC(inl2410,INL2410)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl2420,INL2420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+
+void FUNC(inl2430,INL2430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
+
+void FUNC(inl3000,INL3000)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS);
+
+void FUNC(inl3001,INL3001)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS FREE_ARGS FREE_CHARGEB);
+
+void FUNC(inl3002,INL3002)(COMMON_ARGS COUL_ARGS SOFTCORE_LJARGS COULTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
+
+void FUNC(inl3010,INL3010)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS COULTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl3020,INL3020)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS COULTAB_ARGS);
+
+void FUNC(inl3030,INL3030)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS COULTAB_ARGS);
+
+void FUNC(inl3100,INL3100)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+
+void FUNC(inl3110,INL3110)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl3120,INL3120)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+
+void FUNC(inl3130,INL3130)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+
+void FUNC(inl3200,INL3200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+
+void FUNC(inl3210,INL3210)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl3220,INL3220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+
+void FUNC(inl3230,INL3230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
+
+void FUNC(inl3300,INL3300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
+
+void FUNC(inl3301,INL3301)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
+
+void FUNC(inl3302,INL3302)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
+
+void FUNC(inl3310,INL3310)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl3320,INL3320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
+
+void FUNC(inl3330,INL3330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
+
+void FUNC(inl3400,INL3400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
+
+void FUNC(inl3401,INL3401)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
+
+void FUNC(inl3402,INL3402)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
+
+void FUNC(inl3410,INL3410)(COMMON_ARGS INVSQRT_S_BUF1 INVSQRT_S_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
+
+void FUNC(inl3420,INL3420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
+
+void FUNC(inl3430,INL3430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
+
+
+#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_S || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined USE_THREADS)
+#undef COMMON_ARGS
+#define COMMON_ARGS int SCALARG(nri),int iinr[],int jindex[], \
+ int jjnr[], int shift[],real shiftvec[], \
+ real fshift[],int gid[] ,real x[],real f[] FBUF_ARG
+
+void FUNC(inl3300n,INL3300N)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS);
+
+void FUNC(inl3301n,INL3301N)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
+
+void FUNC(inl3302n,INL3302N)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
+#endif
+
+#undef FBUF_ARG
+#undef THREAD_ARGS
+#undef COMMON_ARGS
+#undef REC_BUF
+#undef INVSQRT_BUF1
+#undef INVSQRT_BUF2
+#undef INVSQRT_W_BUF1
+#undef INVSQRT_W_BUF2
+#undef INVSQRT_WW_BUF1
+#undef INVSQRT_WW_BUF2
+#undef LJ_ARGS
+#undef COUL_ARGS
+#undef SOFTCORE_LJARGS
+#undef RF_ARGS
+#undef LJCTAB_ARGS
+#undef LJTAB_ARGS
+#undef COULTAB_ARGS
+#undef BHTAB_ARGS
+#undef FREE_ARGS
+#undef FREE_CHARGEB
+#undef FREE_TYPEB
+#undef SOFTCORE_ARGS
+#undef SOLMN_ARGS
+#undef INVSQRT_BUF_TEMPL1
+#undef INVSQRT_BUF_TEMPL2
+#endif
+
+++ /dev/null
-#ifndef _inner_h
-#define _inner_h
-#include "typedefs.h"
-ifdef(`VECTORIZE_INVSQRT_WW',`define(`VECTORIZE_INVSQRT_W')')
-ifdef(`VECTORIZE_INVSQRT_W',`define(`VECTORIZE_INVSQRT')')
-
-
-define(`COMMON_ARGS',`int SCALARG(nri),int iinr[],int jindex[],int jjnr[],'`int `shift'[],real shiftvec[],real fshift[],int gid[] ,real x[],real f[]ifdef(`USE_VECTOR',`,real fbuf[]')ifdef(`USE_THREADS',`,int SCALARG(threadid),int SCALARG(nthreads),int *count,pthread_mutex_t *mtx')')
-/* note the pushed definition of common args further down */
-define(`REC_BUF',`ifdef(`VECTORIZE_RECIP',`,real drbuf[],real buf1[] ifdef(`USE_VECTOR',`,real buf2[]')')')
-define(`INVSQRT_BUF1',`ifdef(`VECTORIZE_INVSQRT',`,real drbuf[],real buf1[] ifdef(`USE_VECTOR',`,real buf2[]')')')
-define(`INVSQRT_BUF2',`ifdef(`VECTORIZE_INVSQRT',`ifdef(`USE_VECTOR',`',`,real buf2[]')')')
-define(`INVSQRT_W_BUF1',`ifdef(`VECTORIZE_INVSQRT_W',`,real drbuf[],real buf1[] ifdef(`USE_VECTOR',`,real buf2[]')')')
-define(`INVSQRT_W_BUF2',`ifdef(`VECTORIZE_INVSQRT_W',`ifdef(`USE_VECTOR',`',`,real buf2[]')')')
-define(`INVSQRT_WW_BUF1',`ifdef(`VECTORIZE_INVSQRT_WW',`,real drbuf[],real buf1[] ifdef(`USE_VECTOR',`,real buf2[]')')')
-define(`INVSQRT_WW_BUF2',`ifdef(`VECTORIZE_INVSQRT_WW',`ifdef(`USE_VECTOR',`',`,real buf2[]')')')
-define(`LJ_ARGS',`,int typeA[],int SCALARG(ntype),real nbfp[],real egnb[]')
-define(`COUL_ARGS',`,real chargeA[],real SCALARG(epsfac),real egcoul[]')
-define(`SOFTCORE_LJARGS',`,int typeA[],int SCALARG(ntype),real nbfp[]')
-define(`RF_ARGS',`,real SCALARG(krf),real SCALARG(crf)')
-define(`LJCTAB_ARGS',`,real SCALARG(tabscale),real VFtab[]')
-define(`LJTAB_ARGS',`,real SCALARG(tabscale),real VFtab[]')
-define(`COULTAB_ARGS',`,real SCALARG(tabscale),real VFtab[]')
-define(`BHTAB_ARGS',`,real SCALARG(tabscale_exp)')
-define(`FREE_ARGS',`,real SCALARG(lambda),real *dvdlambda')
-define(`FREE_CHARGEB',`,real chargeB[]')
-define(`FREE_TYPEB',`,int typeB[]')
-define(`SOFTCORE_ARGS',`,real SCALARG(sc_alpha),real SCALARG(defsigma6)')
-define(`SOLMN_ARGS',`,int nsatoms[]')
-
-
-void FUNC(inl0100)(COMMON_ARGS REC_BUF LJ_ARGS);
-
-void FUNC(inl0110)(COMMON_ARGS REC_BUF LJ_ARGS SOLMN_ARGS);
-
-void FUNC(inl0200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS);
-
-void FUNC(inl0210)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS SOLMN_ARGS);
-
-void FUNC(inl0300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS);
-
-void FUNC(inl0310)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl0301)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS FREE_ARGS FREE_TYPEB);
-
-void FUNC(inl0302)(COMMON_ARGS LJ_ARGS LJTAB_ARGS FREE_ARGS FREE_TYPEB SOFTCORE_ARGS);
-
-void FUNC(inl0400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
-
-void FUNC(inl0410)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl0401)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 LJ_ARGS LJTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_TYPEB);
-
-void FUNC(inl0402)(COMMON_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_TYPEB SOFTCORE_ARGS);
-
-void FUNC(inl1000)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS);
-
-void FUNC(inl1010)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS SOLMN_ARGS);
-
-void FUNC(inl1020)(COMMON_ARGS INVSQRT_W_BUF1 COUL_ARGS);
-
-void FUNC(inl1030)(COMMON_ARGS INVSQRT_WW_BUF1 COUL_ARGS);
-
-void FUNC(inl1100)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS LJ_ARGS);
-
-void FUNC(inl1110)(COMMON_ARGS INVSQRT_BUF1 COUL_ARGS LJ_ARGS SOLMN_ARGS);
-
-void FUNC(inl1120)(COMMON_ARGS INVSQRT_W_BUF1 COUL_ARGS LJ_ARGS);
-
-void FUNC(inl1130)(COMMON_ARGS INVSQRT_WW_BUF1 COUL_ARGS LJ_ARGS);
-
-void FUNC(inl1200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS);
-
-void FUNC(inl1210)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS SOLMN_ARGS);
-
-void FUNC(inl1220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS);
-
-void FUNC(inl1230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS);
-
-void FUNC(inl1300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
-
-void FUNC(inl1310)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl1320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
-
-void FUNC(inl1330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS);
-
-void FUNC(inl1400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
-
-void FUNC(inl1410)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl1420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
-
-void FUNC(inl1430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
-
-void FUNC(inl2000)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS);
-
-void FUNC(inl2010)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS SOLMN_ARGS);
-
-void FUNC(inl2020)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS);
-
-void FUNC(inl2030)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS);
-
-void FUNC(inl2100)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
-
-void FUNC(inl2110)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS SOLMN_ARGS);
-
-void FUNC(inl2120)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
-
-void FUNC(inl2130)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
-
-void FUNC(inl2200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
-
-void FUNC(inl2210)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS SOLMN_ARGS);
-
-void FUNC(inl2220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
-
-void FUNC(inl2230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS);
-
-void FUNC(inl2300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
-
-void FUNC(inl2310)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl2320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
-
-void FUNC(inl2330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS);
-
-void FUNC(inl2400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
-
-void FUNC(inl2410)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl2420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
-
-void FUNC(inl2430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS RF_ARGS LJ_ARGS LJTAB_ARGS BHTAB_ARGS);
-
-void FUNC(inl3000)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS);
-
-void FUNC(inl3001)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS FREE_ARGS FREE_CHARGEB);
-
-void FUNC(inl3002)(COMMON_ARGS COUL_ARGS SOFTCORE_LJARGS COULTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
-
-void FUNC(inl3010)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS COULTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl3020)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS COULTAB_ARGS);
-
-void FUNC(inl3030)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS COULTAB_ARGS);
-
-void FUNC(inl3100)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
-
-void FUNC(inl3110)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl3120)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
-
-void FUNC(inl3130)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
-
-void FUNC(inl3200)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
-
-void FUNC(inl3210)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl3220)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
-
-void FUNC(inl3230)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS COULTAB_ARGS);
-
-void FUNC(inl3300)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
-
-void FUNC(inl3301)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
-
-void FUNC(inl3302)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
-
-
-#if (defined VECTORIZE_INVSQRT || defined VECTORIZE_INVSQRT_W || defined VECTORIZE_INVSQRT_WW || defined USE_THREADS)
-pushdef(`COMMON_ARGS',`int SCALARG(nri),int iinr[],int jindex[],int jjnr[],'`int `shift'[],real shiftvec[],real fshift[],int gid[] ,real x[],real f[]ifdef(`USE_VECTOR',`,real fbuf[]')')
-
-void FUNC(inl3300n)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS);
-
-void FUNC(inl3301n)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
-
-void FUNC(inl3302n)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
-popdef(`COMMON_ARGS')
-#endif
-
-void FUNC(inl3310)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl3320)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
-
-void FUNC(inl3330)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS);
-
-void FUNC(inl3400)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
-
-void FUNC(inl3401)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB);
-
-void FUNC(inl3402)(COMMON_ARGS COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS FREE_ARGS FREE_CHARGEB FREE_TYPEB SOFTCORE_ARGS);
-
-void FUNC(inl3410)(COMMON_ARGS INVSQRT_BUF1 INVSQRT_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS SOLMN_ARGS);
-
-void FUNC(inl3420)(COMMON_ARGS INVSQRT_W_BUF1 INVSQRT_W_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
-
-void FUNC(inl3430)(COMMON_ARGS INVSQRT_WW_BUF1 INVSQRT_WW_BUF2 COUL_ARGS LJ_ARGS LJCTAB_ARGS BHTAB_ARGS);
-
-#endif
+++ /dev/null
-//
-// @(#) inout.s 1.5 11/5/92
-//
-//
-// GROMACS - Groningen Machine for Chemical Simulation
-// Copyright (c) 1990, 1991, 1992, Groningen University
-//
-// Memory mapped io for the SPC-i860 by A. Sijbers, (c) 1991,1992
-//
-// General description:
-//
-// The i860 io buffers (both dual ported rams, idt7130 and hd63310) are
-// organised as bytes located at the lowest byte address in a 64 bit word.
-// So to address consecutive bytes of the io buffers, it is necessary to
-// increment the i860 byte address by 8.
-//
-// This module implements a general method of accessing the io buffers by
-// specifying the base address of the buffer and an offset. The base
-// address is the physical address of the buffer, the offset is byte count
-// in the buffers local address space (to address the first byte of an io
-// buffer, specify 0, for the second byte 1 etc.).
-//
-// Although it is possible to use any address and buffer size combination
-// for the put_io_buf and get_io_buf routines, it is strongly recommended
-// to use only long word aligned addresses and sizes which are multiple
-// of 4 for maximum speed.
-//
-// C-interface:
-//
-// extern void poke_io_buf(int iobase,int offset,int byte);
-// Puts byte at io buffer, pointed to by iobase, location offset.
-// extern int peek_io_buf(int iobase,int offset);
-// Returns the byte at offset from io buffer pointed to by iobase.
-// extern void put_io_buf(int iobase,int offset,void *buf,int bufsize);
-// Puts bufsize bytes of buffer, pointed to by buf, into io buffer,
-// pointed to by iobase, starting at offset.
-// extern void get_io_buf(int iobase,int offset,void *buf,int bufsize);
-// Puts bufsize bytes from io buffer, pointed to by iobase, location
-// offset into the buffer pointed to by buf.
-//
-.globl _poke_io_buf
-.globl _peek_io_buf
-.globl _put_io_buf
-.globl _get_io_buf
-//
-// extern void poke_io_buf(int iobase,int offset,int byte);
-// puts byte at io buffer, pointed to by iobase, location offset.
-// in:
-// r16 = iobase
-// r17 = offset
-// r18 = byte
-// modifies:
-// r31
-//
-_poke_io_buf:
- shl 3,r17,r31
- addu r16,r31,r31
- bri r1
- st.b r18,0(r31)
-//
-// extern int peek_io_buf(int iobase,int offset);
-// returns the byte at offset from io buffer pointed to by iobase.
-// in:
-// r16 = iobase
-// r17 = offset
-// out:
-// r16 = function result
-// modifies:
-// r31
-//
-_peek_io_buf:
- shl 3,r17,r31
- addu r16,r31,r31
- ld.b 0(r31),r16
- bri r1
- and 0xff,r16,r16
-//
-// extern void put_io_buf(int iobase,int offset,void *buf,int bufsize);
-// puts bufsize bytes of buffer, pointed to by buf, into io buffer,
-// pointed to by iobase, starting at offset.
-//
-// in:
-// r16 = iobase
-// r17 = offset
-// r18 = bufptr
-// r19 = bufsize
-// modifies:
-// r18,r19,r20,r21,r22,r31
-//
-_put_io_buf:
- subs 0,r19,r0 // bufsize > 0 ?
- bnc put_done // jump if bufsize <= 0
- shl 3,r17,r31
- addu r16,r31,r31 // calculated base address in r31
- and 3,r18,r20
- bc put_prologue_done // don't do prologue if aligned
-put_prologue: // avoid this: very expensive
- ld.b 0(r18),r21
- st.b r21,0(r31)
- adds -1,r19,r19
- bte r0,r19,put_done // jump if all bytes done
- addu 1,r18,r18
- addu 8,r31,r31
- and 3,r18,r0
- bnc put_prologue // until adress long word aligned
-put_prologue_done:
- and 3,r19,r22 // save epilogue part in r22
- shr 2,r19,r19 // in steps of 4 bytes (1 long word)
- bte r0,r19,put_epilogue // jump if all bytes done
- adds -1,r19,r19 // loop count
- adds -1,r0,r20 // loop increment
- bla r20,r19,put_loop
- nop
-put_loop:
- ld.l 0(r18),r21 // fetch long word from memory
- addu 4,r18,r18 // point to next long word
- st.b r21,0(r31) // 1st byte to io buffer
- shr 8,r21,r21 // 2nd byte into right position
- st.b r21,8(r31) // 2nd byte to io buffer
- shr 8,r21,r21 // 3rd byte into right position
- st.b r21,16(r31) // 3rd byte to io buffer
- shr 8,r21,r21 // 4th byte into right position
- st.b r21,24(r31) // 4th byte to io buffer
- bla r20,r19,put_loop // decrement loop count
- addu 32,r31,r31 // next io buffer address
-put_epilogue:
- bte r0,r22,put_done // jump if no epilogue part
-put_epilogue1: // avoid this: very expensive
- ld.b 0(r18),r21
- st.b r21,0(r31)
- addu 1,r18,r18
- addu 8,r31,r31
- adds -1,r22,r22
- btne r0,r22,put_epilogue1 // until epilogue done (r22=0)
-put_done:
- bri r1
- nop
-//
-// extern void get_io_buf(int iobase,int offset,void *buf,int bufsize);
-// puts bufsize bytes from io buffer, pointed to by iobase, location
-// offset into the buffer pointed to by buf.
-// in:
-// r16 = iobase
-// r17 = offset
-// r18 = bufptr
-// r19 = bufsize
-// modifies:
-// r16,r17,r18,r19,r20,r21,r22,r23,r24,r31
-//
-_get_io_buf:
- subs 0,r19,r0 // bufsize > 0 ?
- bnc get_done // jump if bufsize <= 0
- shl 3,r17,r31
- addu r16,r31,r31 // calculated base address in r31
- and 3,r18,r17
- bc get_prologue_done // don't do prologue if aligned
-get_prologue: // avoid this: very expensive
- ld.b 0(r31),r21
- st.b r21,0(r18)
- adds -1,r19,r19
- bte r0,r19,get_done // jump if all bytes done
- addu 1,r18,r18
- addu 8,r31,r31
- and 3,r18,r0
- bnc get_prologue // until adress long word aligned
-get_prologue_done:
- and 3,r19,r24 // save epilogue part in r24
- shr 2,r19,r19 // in steps of 4 bytes (1 long word)
- bte r0,r19,get_epilogue // jump if all bytes done
-
- adds -8,r31,r31 // start at 8(-8+offset) = 0 (offset)
- addu 8,r0,r23 // increment for PFLD load instr.
- // now ready for pflds
- pfld.l r23(r31)++,f0 // Initialise pipe (pipe 1)
- pfld.l r23(r31)++,f0 // pipe 2
- adds -1,r19,r19 // loop count
- pfld.l r23(r31)++,f0 // pipe 3
- adds -1,r0,r17 // loop increment
- pfld.l r23(r31)++,f16 // save first result in f16
- shr 8,r0,r0 // set SC field in psr for SHRD
- pfld.l r23(r31)++,f17 // next result in f17
- fxfr f16,r21 // start in pipeline with defined r21
- bla r17,r19,get_loop
- nop
-get_loop: // result of load in r20
- pfld.l r23(r31)++,f16
- fxfr f17,r22
- shrd r21,r0,r20
- pfld.l r23(r31)++,f17
- fxfr f16,r21
- shrd r22,r20,r20
- pfld.l r23(r31)++,f16
- fxfr f17,r22
- shrd r21,r20,r20
- pfld.l r23(r31)++,f17 // the last are dummy reads at the end
- fxfr f16,r21
- shrd r22,r20,r20 // r20 needs to settle
- addu 4,r18,r18
- bla r17,r19,get_loop
- st.l r20,-4(r18)
- adds -32,r31,r31 // correct for last dummy reads
-get_epilogue:
- bte r0,r24,get_done // jump if no epilogue part
-get_epilogue1:
- ld.b 0(r31),r20
- st.b r20,0(r18)
- addu 1,r18,r18
- addu 8,r31,r31
- adds -1,r24,r24
- btne r0,r24,get_epilogue1 // until epilogue done (r24=0)
-get_done:
- bri r1
- nop
-//
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
| libxdrf - portable fortran interface to xdr. some xdr routines
| are C routines for compressed coordinates
|
- | version 1.1
+ | version 1.1.1
+ |
+ | IMPORTANT CHANGE FROM VERSION 1.1:
+ |
+ | The fortran part of the interface is now only compiled
+ | when --enable-fortran is used. The reason for this is that
+ | we need the f77 compiler to construct the appropriate
+ | F77_FUNC macros for the interface. /EL 2001-02-23
|
| This collection of routines is intended to write and read
| data in a portable way to a file, so data written on one type
| molecular data, but could be used for other 3d coordinates
| as well. There is subtantial overhead involved, so call this
| routine only if you have a large number of coordinates to read/write
+ |
+ | ONCE AGAIN: Note that from version 1.1.1, the fortran interface
+ | routines are only built when you are using fortran with gromacs.
|
| ________________________________________________________________________
|
#include <stdio.h>
#include <stdlib.h>
#include "xdrf.h"
+#include <callf77.h>
int ftocstr(char *, int, char *, int);
int ctofstr(char *, int, char *);
static char xdrmodes[MAXID];
static unsigned int cnt;
-typedef void (* FUNCTION(xdrfproc)) (int *, void *, int *);
+#ifdef USE_FORTRAN
+
+typedef void (* F77_FUNC(xdrfproc,XDRFPROC))(int *, void *, int *);
void
-FUNCTION(xdrfbool) ARGS(`xdrid, pb, ret')
-int *xdrid, *ret;
-int *pb;
+F77_FUNC(xdrfbool,XDRFBOOL)(int *xdrid, int *pb, int *ret)
{
*ret = xdr_bool(xdridptr[*xdrid], (bool_t *) pb);
cnt += sizeof(int);
}
void
-FUNCTION(xdrfchar) ARGS(`xdrid, cp, ret')
-int *xdrid, *ret;
-char *cp;
+F77_FUNC(xdrfchar,XDRFCHAR)(int *xdrid, char *cp, int *ret)
{
*ret = xdr_char(xdridptr[*xdrid], cp);
cnt += sizeof(char);
}
void
-FUNCTION(xdrfdouble) ARGS(`xdrid, dp, ret')
-int *xdrid, *ret;
-double *dp;
+F77_FUNC(xdrfdouble,XDRFDOUBLE)(int *xdrid, double *dp, int *ret)
{
*ret = xdr_double(xdridptr[*xdrid], dp);
cnt += sizeof(double);
}
void
-FUNCTION(xdrffloat) ARGS(`xdrid, fp, ret')
-int *xdrid, *ret;
-float *fp;
+F77_FUNC(xdrffloat,XDRFFLOAT)(int *xdrid, float *fp, int *ret)
{
*ret = xdr_float(xdridptr[*xdrid], fp);
cnt += sizeof(float);
}
void
-FUNCTION(xdrfint) ARGS(`xdrid, ip, ret')
-int *xdrid, *ret;
-int *ip;
+F77_FUNC(xdrfint,XDRFINT)(int *xdrid, int *ip, int *ret)
{
*ret = xdr_int(xdridptr[*xdrid], ip);
cnt += sizeof(int);
}
void
-FUNCTION(xdrflong) ARGS(`xdrid, lp, ret')
-int *xdrid, *ret;
-long *lp;
+F77_FUNC(xdrflong,XDRFLONG)(int *xdrid, long *lp, int *ret)
{
*ret = xdr_long(xdridptr[*xdrid], lp);
cnt += sizeof(long);
}
void
-FUNCTION(xdrfshort) ARGS(`xdrid, sp, ret')
-int *xdrid, *ret;
-short *sp;
+F77_FUNC(xdrfshort,XDRFSHORT)(int *xdrid, short *sp, int *ret)
{
*ret = xdr_short(xdridptr[*xdrid], sp);
cnt += sizeof(sp);
}
void
-FUNCTION(xdrfuchar) ARGS(`xdrid, ucp, ret')
-int *xdrid, *ret;
-unsigned char *ucp;
+F77_FUNC(xdrfuchar,XDRFUCHAR)(int *xdrid, unsigned char *ucp, int *ret)
{
*ret = xdr_u_char(xdridptr[*xdrid], (u_char *)ucp);
cnt += sizeof(char);
}
void
-FUNCTION(xdrfulong) ARGS(`xdrid, ulp, ret')
-int *xdrid, *ret;
-unsigned long *ulp;
+F77_FUNC(xdrfulong,XDRFULONG)(int *xdrid, unsigned long *ulp, int *ret)
{
*ret = xdr_u_long(xdridptr[*xdrid], (u_long *)ulp);
cnt += sizeof(unsigned long);
}
void
-FUNCTION(xdrfushort) ARGS(`xdrid, usp, ret')
-int *xdrid, *ret;
-unsigned short *usp;
+F77_FUNC(xdrfushort,XDRFUSHORT)(int *xdrid, unsigned short *usp, int *ret)
{
*ret = xdr_u_short(xdridptr[*xdrid], (u_short *)usp);
cnt += sizeof(unsigned short);
}
void
-FUNCTION(xdrf3dfcoord) ARGS(`xdrid, fp, size, precision, ret')
-int *xdrid, *ret;
-float *fp;
-int *size;
-float *precision;
+F77_FUNC(xdrf3dfcoord,XDRF3DFCOORD)(int *xdrid, float *fp, int *size, float *precision, int *ret)
{
*ret = xdr3dfcoord(xdridptr[*xdrid], fp, size, precision);
}
void
-FUNCTION(xdrfstring) ARGS(`xdrid, STRING_ARG(sp), maxsize, ret')
-int *xdrid, *ret;
-STRING_ARG_DECL(sp);
-int *maxsize;
+F77_FUNC(xdrfstring,XDRFSTRING)(int *xdrid, char * sp_ptr,
+ int *maxsize, int *ret, int sp_len)
{
char *tsp;
- tsp = (char*) malloc((size_t)(((STRING_LEN(sp)) + 1) * sizeof(char)));
+ tsp = (char*) malloc((size_t)(((sp_len) + 1) * sizeof(char)));
if (tsp == NULL) {
*ret = -1;
return;
}
- if (ftocstr(tsp, *maxsize+1, STRING_PTR(sp), STRING_LEN(sp))) {
+ if (ftocstr(tsp, *maxsize+1, sp_ptr, sp_len)) {
*ret = -1;
free(tsp);
return;
}
*ret = xdr_string(xdridptr[*xdrid], (char **) &tsp, (u_int) *maxsize);
- ctofstr( STRING_PTR(sp), STRING_LEN(sp), tsp);
+ ctofstr( sp_ptr, sp_len , tsp);
cnt += *maxsize;
free(tsp);
}
void
-FUNCTION(xdrfwrapstring) ARGS(`xdrid, STRING_ARG(sp), ret')
-int *xdrid, *ret;
-STRING_ARG_DECL(sp);
+F77_FUNC(xdrfwrapstring,XDRFWRAPSTRING)(int *xdrid, char *sp_ptr,
+ int *ret, int sp_len)
{
char *tsp;
int maxsize;
- maxsize = (STRING_LEN(sp)) + 1;
+ maxsize = (sp_len) + 1;
tsp = (char*) malloc((size_t)(maxsize * sizeof(char)));
if (tsp == NULL) {
*ret = -1;
return;
}
- if (ftocstr(tsp, maxsize, STRING_PTR(sp), STRING_LEN(sp))) {
+ if (ftocstr(tsp, maxsize, sp_ptr, sp_len)) {
*ret = -1;
free(tsp);
return;
}
*ret = xdr_string(xdridptr[*xdrid], (char **) &tsp, (u_int)maxsize);
- ctofstr( STRING_PTR(sp), STRING_LEN(sp), tsp);
+ ctofstr( sp_ptr, sp_len, tsp);
cnt += maxsize;
free(tsp);
}
void
-FUNCTION(xdrfopaque) ARGS(`xdrid, cp, ccnt, ret')
-int *xdrid, *ret;
-caddr_t *cp;
-int *ccnt;
+F77_FUNC(xdrfopaque,XDRFOPAQUE)(int *xdrid, caddr_t *cp, int *ccnt, int *ret)
{
*ret = xdr_opaque(xdridptr[*xdrid], (caddr_t)*cp, (u_int)*ccnt);
cnt += *ccnt;
}
void
-FUNCTION(xdrfsetpos) ARGS(`xdrid, pos, ret')
-int *xdrid, *ret;
-int *pos;
+F77_FUNC(xdrfsetpos,XDRFSETPOS)(int *xdrid, int *pos, int *ret)
{
*ret = xdr_setpos(xdridptr[*xdrid], (u_int) *pos);
}
+
void
-FUNCTION(xdrf) ARGS(`xdrid, pos')
-int *xdrid, *pos;
+F77_FUNC(xdrf,XDRF)(int *xdrid, int *pos)
{
*pos = xdr_getpos(xdridptr[*xdrid]);
}
void
-FUNCTION(xdrfvector) ARGS(`xdrid, cp, size, elproc, ret')
-int *xdrid, *ret;
-char *cp;
-int *size;
-FUNCTION(xdrfproc) elproc;
+F77_FUNC(xdrfvector,XDRFVECTOR)(int *xdrid, char *cp, int *size, F77_FUNC(xdrfproc,XDRFPROC) elproc, int *ret)
{
int lcnt;
cnt = 0;
void
-FUNCTION(xdrfclose) ARGS(`xdrid, ret')
-int *xdrid;
-int *ret;
+F77_FUNC(xdrfclose,XDRFCLOSE)(int *xdrid, int *ret)
{
*ret = xdrclose(xdridptr[*xdrid]);
cnt = 0;
}
void
-FUNCTION(xdrfopen) ARGS(`xdrid, STRING_ARG(fp), STRING_ARG(mode), ret')
-int *xdrid;
-STRING_ARG_DECL(fp);
-STRING_ARG_DECL(mode);
-int *ret;
+F77_FUNC(xdrfopen,XDRFOPEN)(int *xdrid, char *fp_ptr, char *mode_ptr,
+ int *ret, int fp_len, int mode_len)
{
char fname[512];
char fmode[3];
- if (ftocstr(fname, sizeof(fname), STRING_PTR(fp), STRING_LEN(fp))) {
+ if (ftocstr(fname, sizeof(fname), fp_ptr, fp_len)) {
*ret = 0;
}
- if (ftocstr(fmode, sizeof(fmode), STRING_PTR(mode),
- STRING_LEN(mode))) {
+ if (ftocstr(fmode, sizeof(fmode), mode_ptr,
+ mode_len)) {
*ret = 0;
}
else
*ret = 1;
}
+#endif /* USE_FORTRAN */
/*___________________________________________________________________________
|
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# FORTRAN function names are in upper case
-#
-define(`FUNCTION',`translit($1,abcdefghijklmnopqrstuvwxyz,ABCDEFGHIJKLMNOPQRSTUVWXYZ)')
-#
-# FORTRAN character strings are passed as follows:
-# XXX is this right?
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
* -DUSE_AXP_ASM Use gromacs assembly routines to perform
* vectorized invsqrt on dec/compaq alpha chips.
*
- * -DFAST_X86TRUNC Change the x86 control word once in each
+ * automatic on gcc: Change the x86 control word once in each
* routine to speed up truncation. This will
- * increase table routine performance significantly,
- * but it might also affect the floating point
- * precision. Check your output to see if you
- * can live with it.
+ * increase table routine performance significantly.
*
- * -DUSE_SSE_AND_3DNOW Include assembly loops which can utilize fast
- * single precision optimizations in newer Intel and
+ * -DUSE_SSE Include assembly loops which can utilize fast
+ * -DUSE_3DNOW single precision optimizations in newer Intel and
* Amd processors. The code will still run on any
* x86 machine, but to make use of the special loops you
* will need e.g. redhat>=6.2 and a pentium III/amd k6
* the processors due to e.g. other jobs on a machine.
* Only choose one of them!
*
- * -DGMX_INVSQRT Use the gromacs implementation of the inverse
+ * -DSOFTWARE_SQRT Use the gromacs implementation of the inverse
* square root.
* This is probably a good thing to do on most
* computers except SGI and ibm power2/power3 which
* have special hardware invsqrt instructions.
* (but the PPC604 available in some ibm smp nodes doesnt)
*
- * -DGMX_RECIP Same as invsqrt, but this is for 1/x. This
+ * -DSOFTWARE_RECIP Same as invsqrt, but this is for 1/x. This
* should NOT be used without checking - most
* computers have a more efficient hardware
* routine, but it may help on SOME x86 boxes.
* it, which comes handy for debugging. It is
* probably slightly slower, though.
*
- * -DPREFETCH_F Prefetching of forces. The two extra options
- * -DPREFETCH_F_W additionally does it for single water and
- * -DPREFETCH_F_WW water-water loops.
+ * -DPREFETCH_F Prefetching of forces in normal, solvent, water
+ * -DPREFETCH_F_S and water-water loops.
+ * -DPREFETCH_F_W
+ * -DPREFETCH_F_WW
*
- * -DPREFETCH_X Prefetches coordinates.
- * -DPREFETCH_X_W In general, more prefetching is better, but on
- * -DPREFETCH_X_WW processors with few registers (x86) it can decrease
- * performance when we run out of them.
- * This is even more probable for the water-water loops,
- * so they have special options.
+ * -DPREFETCH_X Prefetching of coordinates in normal, solvent, water
+ * -DPREFETCH_X_S and water-water loops.
+ * -DPREFETCH_X_W
+ * -DPREFETCH_X_WW
*
* -DVECTORIZE_INVSQRT Vectorize the corresponding part of the force
- * -DVECTORIZE_INVSQRT_W calculation. This can avoid cache trashing, and
- * -DVECTORIZE_INVSQRT_WW in some cases it makes it possible to use vector
- * -DVECTORIZE_RECIP intrinsic functions. (also on scalar machines)
- * The two extra invsqrt options control water
- * loops in the same way as the prefetching.
+ * -DVECTORIZE_INVSQRT_S calculation. This can avoid cache trashing, and
+ * -DVECTORIZE_INVSQRT_W in some cases it makes it possible to use vector
+ * -DVECTORIZE_INVSQRT_WW intrinsic functions. (also on scalar machines)
+ * -DVECTORIZE_RECIP Water loops are only used when we include coulomb
+ * interactions (requiring sqrt), so the reciprocal
+ * vectorization is only meaningful on normal loops.
*
* -DDECREASE_SQUARE_LATENCY Try to hide latencies by doing some operations
* -DDECREASE_LOOKUP_LATENCY in parallel rather than serial in the innermost loop.
* mkinl_interactions.c
*/
loop.coul_needs_rinv=TRUE;
-
+ /* all current coulomb stuff needs 1/r */
loop.coul_needs_rinvsq=(loop.coul && !DO_COULTAB);
/* non-table coul also need r^-2 */
loop.coul_needs_rsq=(DO_RF || (loop.coul && loop.free));
/* reaction field and softcore need r^2 */
- loop.coul_needs_r=DO_COULTAB && !DO_SOFTCORE;
+ loop.coul_needs_r=DO_COULTAB;
/* tabulated coulomb needs r */
- /* If we are vectorizing the invsqrt it is probably faster to
- * include the vdw-only atoms in that loop and square the
- * result to get rinvsq. Just tell the generator we want rinv for
- * those atoms too:
- */
- loop.vdw_needs_rinv=(DO_VDWTAB || (loop.coul && loop.vectorize_invsqrt));
-
/* table nb needs 1/r */
loop.vdw_needs_rinvsq=(loop.vdw && !DO_VDWTAB);
/* all other need r^-2 */
loop.vdw_needs_rsq=(loop.vdw && loop.free);
/* softcore needs r^2 */
- loop.vdw_needs_r=(DO_BHAM || DO_VDWTAB || (loop.vdw && loop.free)) && !DO_SOFTCORE;
+ loop.vdw_needs_r=(DO_BHAM || DO_VDWTAB || (loop.vdw && loop.free));
/* softcore and buckingham need r */
/* Now, what shall we calculate? */
- loop.invsqrt=!DO_SOFTCORE &&
- ((loop.coul && (loop.coul_needs_rinv || loop.coul_needs_r)) ||
- (loop.vdw && (loop.vdw_needs_rinv || loop.vdw_needs_r)));
+ loop.invsqrt=
+ (loop.coul && (loop.coul_needs_rinv || loop.coul_needs_r)) ||
+ (loop.vdw && (loop.vdw_needs_rinv || loop.vdw_needs_r));
- loop.recip=!DO_SOFTCORE && !loop.invsqrt;
+ loop.recip=!loop.invsqrt;
- loop.vectorize_invsqrt=loop.invsqrt &&
- (opt.vectorize_invsqrt==YES_WW ||
- (opt.vectorize_invsqrt==YES_W && loop.sol!=SOL_WATERWATER) ||
- (opt.vectorize_invsqrt==YES && !DO_WATER));
+ loop.vectorize_invsqrt=loop.invsqrt && !DO_SOFTCORE &&
+ ((loop.sol==SOL_NO && (opt.vectorize_invsqrt & TYPE_NORMAL)) ||
+ (loop.sol==SOL_MNO && (opt.vectorize_invsqrt & TYPE_SOLVENT)) ||
+ (loop.sol==SOL_WATER && (opt.vectorize_invsqrt & TYPE_WATER)) ||
+ (loop.sol==SOL_WATERWATER && (opt.vectorize_invsqrt & TYPE_WATERWATER)));
- loop.vectorize_recip=loop.recip && opt.vectorize_recip;
+ loop.vectorize_recip=loop.recip && opt.vectorize_recip && !DO_SOFTCORE;
+ /* If we are vectorizing the invsqrt it is probably faster to
+ * include the vdw-only atoms in that loop and square the
+ * result to get rinvsq. Just tell the generator we want rinv for
+ * those atoms too:
+ */
+ loop.vdw_needs_rinv=DO_VDWTAB || (loop.coul && loop.vectorize_invsqrt);
+
table_element_size=0;
if(DO_COULTAB)
table_element_size+=4;
/* start the loop over i particles (neighborlists) */
outer_loop();
/* The innerloop creation is called from the outerloop creation */
-#if (defined __GNUC__ && defined _lnx_ && defined FAST_X86TRUNC)
+#if ((defined __GNUC__ || defined __PGI) && defined __i386__ && !defined DISABLE_X86TRUNC)
if(bC && DO_TAB)
strcat(codebuffer,"asm(\"fldcw %%0\" : : \"m\" (*&x86_cwsave));\n");
#endif
(prec == 8) ? "double" : "single",
bC ? "C" : "Fortran 77",fn);
-#ifdef USE_SSE_AND_3DNOW
- arch.sse_and_3dnow=FALSE; /* no support - yet */
- fprintf(stderr,">>> Including x86 assembly loops with SSE and 3DNOW instructions\n");
-#else
- arch.sse_and_3dnow=FALSE;
+#ifdef USE_SSE
+ fprintf(stderr,">>> Including x86 assembly loops with SSE instructions\n");
+#endif
+#ifdef USE_3DNOW
+ fprintf(stderr,">>> Including x86 assembly loops with 3DNOW instructions\n");
#endif
-#if (defined __GNUC__ && defined _lnx_)
-#ifdef FAST_X86TRUNC
+#if ((defined __GNUC__ || defined __PGI) && defined __i386__ && !defined DISABLE_X86TRUNC)
fprintf(stderr,">>> Using fast inline assembly gcc/x86 truncation. Since we are changing\n"
" the control word this might affect the numerical result slightly.\n");
-#else
- fprintf(stderr,">>> Using normal x86 truncation\n");
-#endif
#endif
-#ifdef GMX_INVSQRT
+#ifdef SOFTWARE_SQRT
arch.gmx_invsqrt = TRUE;
fprintf(stderr,">>> Using gromacs invsqrt code\n");
#else
arch.gmx_invsqrt = FALSE;
#endif
-#ifdef GMX_RECIP
+#ifdef SOFTWARE_RECIP
arch.gmx_recip = TRUE;
fprintf(stderr,">>> Using gromacs reciprocal code\n");
#else
arch.gmx_recip = FALSE;
#endif
-#if ((defined GMX_INVSQRT || defined GMX_RECIP) && !defined DONT_INLINE_GMXCODE)
+#if ((defined SOFTWARE_SQRT || defined SOFTWARE_RECIP) && !defined DONT_INLINE)
opt.inline_gmxcode = TRUE;
fprintf(stderr,">>> Inlining gromacs invsqrt and/or reciprocal code\n");
#else
arch.simplewater = FALSE;
#endif
-#ifdef PREFETCH_X
- opt.prefetch_x = YES;
- fprintf(stderr,">>> Prefetching coordinates\n");
-#elif defined PREFETCH_X_W
- opt.prefetch_x = YES_W;
- fprintf(stderr,">>> Prefetching coordinates (also single water loops)\n");
-#elif defined PREFETCH_X_WW
- opt.prefetch_x = YES_WW;
- fprintf(stderr,">>> Prefetching coordinates (all loops)\n");
-#else
- opt.prefetch_x = NO;
+ fprintf(stderr,">>> Prefetching coordinates in loops: ");
+#if (!defined PREFETCH_X) && (!defined PREFETCH_X_S) && \
+ (!defined PREFETCH_X_W) && (!defined PREFETCH_X_WW)
+ fprintf(stderr,"none");
#endif
-
+ opt.prefetch_x=0;
+#ifdef PREFETCH_X
+ fprintf(stderr,"normal ");
+ opt.prefetch_x |= TYPE_NORMAL;
+#endif
+#ifdef PREFETCH_X_S
+ fprintf(stderr,"solvent ");
+ opt.prefetch_x |= TYPE_SOLVENT;
+#endif
+#ifdef PREFETCH_X_W
+ fprintf(stderr,"water ");
+ opt.prefetch_x |= TYPE_WATER;
+#endif
+#ifdef PREFETCH_X_WW
+ fprintf(stderr,"water-water ");
+ opt.prefetch_x |= TYPE_WATERWATER;
+#endif
+ fprintf(stderr,"\n");
+
+ fprintf(stderr,">>> Prefetching forces in loops: ");
+#if (!defined PREFETCH_F) && (!defined PREFETCH_F_S) && \
+ (!defined PREFETCH_F_W) && (!defined PREFETCH_F_WW)
+ fprintf(stderr,"none");
+#endif
+ opt.prefetch_f=0;
#ifdef PREFETCH_F
- opt.prefetch_f = YES;
- fprintf(stderr,">>> Prefetching forces\n");
-#elif defined PREFETCH_F_W
- opt.prefetch_f = YES_W;
- fprintf(stderr,">>> Prefetching forces (also single water loops)\n");
-#elif defined PREFETCH_F_WW
- opt.prefetch_f = YES_WW;
- fprintf(stderr,">>> Prefetching forces (all loops)\n");
-#else
- opt.prefetch_f = NO;
+ fprintf(stderr,"normal ");
+ opt.prefetch_f |= TYPE_NORMAL;
+#endif
+#ifdef PREFETCH_F_S
+ fprintf(stderr,"solvent ");
+ opt.prefetch_f |= TYPE_SOLVENT;
+#endif
+#ifdef PREFETCH_F_W
+ fprintf(stderr,"water ");
+ opt.prefetch_f |= TYPE_WATER;
+#endif
+#ifdef PREFETCH_F_WW
+ fprintf(stderr,"water-water ");
+ opt.prefetch_f |= TYPE_WATERWATER;
#endif
+ fprintf(stderr,"\n");
+
#ifdef DECREASE_SQUARE_LATENCY
opt.decrease_square_latency = TRUE;
fprintf(stderr,">>> Nonthreaded inner loops\n");
#endif
-#ifdef _SGI_
+#ifdef __sgi
opt.delay_invsqrt = TRUE;
fprintf(stderr,">>> Delaying invsqrt and reciprocal\n");
#else
opt.delay_invsqrt = FALSE;
-#endif
+#endif
+
+ fprintf(stderr,">>> Vectorizing invsqrt in loops:");
+#if (!defined VECTORIZE_INVSQRT) && (!defined VECTORIZE_INVSQRT_S) && \
+ (!defined VECTORIZE_INVSQRT_W) && (!defined VECTORIZE_INVSQRT_WW)
+ fprintf(stderr,"none");
+#endif
+ opt.vectorize_invsqrt=0;
#ifdef VECTORIZE_INVSQRT
- opt.vectorize_invsqrt = YES;
- fprintf(stderr,">>> Vectorizing the invsqrt calculation\n");
-#elif defined VECTORIZE_INVSQRT_W
- opt.vectorize_invsqrt = YES_W;
- fprintf(stderr,">>> Vectorizing the invsqrt calculation (also single water loops)\n");
-#elif defined VECTORIZE_INVSQRT_WW
- opt.vectorize_invsqrt = YES_WW;
- fprintf(stderr,">>> Vectorizing the invsqrt calculation (all loops)\n");
-#else
- opt.vectorize_invsqrt = NO;
+ fprintf(stderr,"normal ");
+ opt.vectorize_invsqrt |= TYPE_NORMAL;
+#endif
+#ifdef VECTORIZE_INVSQRT_S
+ fprintf(stderr,"solvent ");
+ opt.vectorize_invsqrt |= TYPE_SOLVENT;
+#endif
+#ifdef VECTORIZE_INVSQRT_W
+ fprintf(stderr,"water ");
+ opt.vectorize_invsqrt |= TYPE_WATER;
#endif
+#ifdef VECTORIZE_INVSQRT_WW
+ fprintf(stderr,"water-water ");
+ opt.vectorize_invsqrt |= TYPE_WATERWATER;
+#endif
+ fprintf(stderr,"\n");
+
+
#ifdef VECTORIZE_RECIP
opt.vectorize_recip = TRUE;
fprintf(stderr,">>> Vectorizing the reciprocal calculation\n");
exit(-1);
}
if(opt.delay_invsqrt && arch.gmx_invsqrt) {
- fprintf(stderr,"Error: Can't delay invsqrt when using gromacs code.\n");
- exit(-1);
- }
- if(prec!=4 && arch.sse_and_3dnow) {
- fprintf(stderr,"Error: SSE/3DNOW loops can only be used in single precision\n");
- fprintf(stderr," (Not our choice - blame Intel and AMD.)\n");
- exit(-1);
+ fprintf(stderr,
+ "Warning: Can't delay invsqrt when using gromacs code.\n"
+ " Turning off the delayed invsqrt\n");
+ opt.delay_invsqrt=FALSE;
}
if ((output = fopen(fn,"w")) == NULL) {
opt. */
if(DO_WATER && !loop.coul)
continue; /* No point with LJ only water loops */
- /* (but we have LJ only general solvent loops) */
-
+ /* (but we have LJ only general solvent loops) */
+
/* Write metacode to buffer */
make_func("");
flush_buffers();
#define _mkinl_h
static char *SRCID_mkinl_h = "";
+#include <config.h>
#include <types/simple.h>
#include <metacode.h>
#define DO_TAB (DO_COULTAB || DO_VDWTAB)
#define DO_BHAM ((loop.vdw==VDW_BHAM) || (loop.vdw==VDW_BHAMTAB))
-#define DO_PREFETCH_X (opt.prefetch_x==YES_WW || \
- (opt.prefetch_x==YES_W && \
- (loop.sol!=SOL_WATERWATER)) || \
- (opt.prefetch_x==YES && !DO_WATER))
-#define DO_PREFETCH_F (opt.prefetch_f==YES_WW || \
- (opt.prefetch_f==YES_W && \
- (loop.sol!=SOL_WATERWATER)) || \
- (opt.prefetch_f==YES && !DO_WATER))
+#define DO_PREFETCH_X ((loop.sol==SOL_NO && (opt.prefetch_x & TYPE_NORMAL)) || \
+ (loop.sol==SOL_MNO && (opt.prefetch_x & TYPE_SOLVENT)) || \
+ (loop.sol==SOL_WATER && (opt.prefetch_x & TYPE_WATER)) || \
+ (loop.sol==SOL_WATERWATER && (opt.prefetch_x & TYPE_WATERWATER)))
+#define DO_PREFETCH_F ((loop.sol==SOL_NO && (opt.prefetch_f & TYPE_NORMAL)) || \
+ (loop.sol==SOL_MNO && (opt.prefetch_f & TYPE_SOLVENT)) || \
+ (loop.sol==SOL_WATER && (opt.prefetch_f & TYPE_WATER)) || \
+ (loop.sol==SOL_WATERWATER && (opt.prefetch_f & TYPE_WATERWATER)))
+
#define DO_SOL (loop.sol==SOL_MNO) /* non-water solvent optimzations */
#define DO_WATER (loop.sol==SOL_WATER || loop.sol==SOL_WATERWATER)
#define DO_SOFTCORE (loop.free==FREE_SOFTCORE)
-#define DO_VECTORIZE (loop.vectorize_invsqrt || loop.vectorize_recip)
+#define DO_VECTORIZE (loop.vectorize_invsqrt || loop.vectorize_recip)
/* For pure LJ-only loops we can save some cycles by just calculating the
* reciprocal. In all other cases we need to do the invsqrt
} thread_t;
-typedef enum {
- NO,
- YES, /* prefetch only non-solvent loops */
- YES_W, /* prefetch single solvent or water loops too */
- YES_WW /* prefetch everywhere */
-} waterbool_t;
+/* This is essentially a boolean telling for which loop types
+ * some features are enabled.
+ * Bit 0 concerns normal loops,
+ * bit 1 solvent loops and
+ * bit 2 water loops and
+ * bit 3 water-water loops.
+ */
+typedef int looptype_t;
+
+#define TYPE_NORMAL 1
+#define TYPE_SOLVENT 2
+#define TYPE_WATER 4
+#define TYPE_WATERWATER 8
+
/* Global structure determining architectural options */
typedef struct {
bool gmx_invsqrt; /* Use gmx software routines? */
bool gmx_recip;
thread_t threads;
- bool sse_and_3dnow;
bool simplewater;
bool vector;
bool cray_pragma;
/* Global structure determining optimization options */
typedef struct {
bool inline_gmxcode; /* Inline gmx software routines */
- waterbool_t prefetch_x;
- waterbool_t prefetch_f;
+ looptype_t prefetch_x;
+ looptype_t prefetch_f;
bool decrease_square_latency; /* Try to hide latencies */
bool decrease_lookup_latency;
bool delay_invsqrt;
/* Dont try to hide latency for (hardware) invsqrt or reciprocal
* by calculating the before we need them.
*/
- waterbool_t vectorize_invsqrt; /* vectorize distance calculation when possible */
- bool vectorize_recip;
+
+ looptype_t vectorize_invsqrt; /* vectorize distance calculation when possible */
+ bool vectorize_recip; /* not meaningful on water loops */
} opt_t;
init_block_data();
}
-#if (defined __GNUC__ && defined _lnx_ && defined FAST_X86TRUNC)
+#if ((defined __GNUC__ || defined __PGI) && defined __i386__ && !defined DISABLE_X86TRUNC)
/* This is a very fast inline assembly truncation routine
* The slow step an most x86 chips is to store and restore
* the control word when we want to do truncation. Here it
if(bC)
fprintf(output,"\n\n#define x86trunc(a,b) asm(\"fld %%1 ; fistpl %%0\" : \"=m\" (*&b) : \"f\" (a));\n\n");
#endif
+#ifdef USE_IBM_MASS
+ fprintf(output,
+ "void vsrec(float *, float *, int *);\n"
+ "void vsrsqrt(float *, float *, int *);\n"
+ "void vrec(double *, double *, int *);\n"
+ "void vrsqrt(double *, double *, int *);\n");
+#endif
+
}
* (But for MNO solvent we have to do it)
*/
-#if (defined __GNUC__ && defined _lnx_ && defined FAST_X86TRUNC)
+#if ((defined __GNUC__ || defined __PGI) && defined __i386__ && !defined DISABLE_X86TRUNC)
/* store cw */
if(bC && DO_TAB) {
strcat(codebuffer,"asm(\"fnstcw %%0\" : \"=m\" (*&x86_cwsave));\n");
nflop += calc_interactions(calcdist && DO_PREFETCH_X);
/* Only print vanilla loop count */
- if(!DO_VECTORIZE && !DO_PREFETCH_X && !arch.sse_and_3dnow && !arch.vector) {
+ if(!DO_VECTORIZE && !DO_PREFETCH_X && !arch.vector) {
sprintf(buf,"Innerloop of %s costs %d flops",loopname,nflop);
comment(buf);
}
int table_index(char *rin)
{
assign("rt",rin);
-#if (defined __GNUC__ && defined _lnx_ && defined FAST_X86TRUNC)
+#if ((defined __GNUC__ || defined __PGI) && defined __i386__ && !defined DISABLE_X86TRUNC)
if(bC)
code("x86trunc(rt,n0);");
else
void fortran_invsqrt()
{
/* First the nonvectorized version */
-#ifdef GMX_INVSQRT
+#ifdef SOFTWARE_INVSQRT
newline();
comment("fortran invsqrt routine");
strcat(header," function invsqrt(");
nargs=ndecl;
declare_int("i");
-#ifdef GMX_INVSQRT
+#ifdef SOFTWARE_INVSQRT
declare_int4("finvsqrtexptab");
declare_int4("finvsqrtfracttab");
#endif
end_loop();
-#else /* no GMX_INVSQRT */
+#else /* no SOFTWARE_INVSQRT */
start_loop("i","1","n");
assign("utdata(i)","1.0/sqrt(indata(i))");
end_loop();
nflop ++;
}
/* Only print vanilla loop count */
- if(!DO_VECTORIZE && !arch.sse_and_3dnow && !arch.vector) {
+ if(!DO_VECTORIZE && !arch.vector) {
sprintf(buf,"Outerloop of %s costs %d flops",loopname,nflop);
comment(buf);
}
void fortran_recip()
{
/* First the nonvectorized version */
-#ifdef GMX_RECIP
+#ifdef SOFTWARE_RECIP
newline();
comment("fortran recip routine");
strcat(header," function recip(");
nargs=ndecl;
declare_int("i");
-#ifdef GMX_RECIP
+#ifdef SOFTWARE_RECIP
declare_real4("x");
declare_int4("frecipexptab");
end_loop();
-#else /* no GMX_RECIP */
+#else /* no SOFTWARE_RECIP */
start_loop("i","1","n");
assign("utdata(i)","1.0/indata(i)");
end_loop();
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-C #define EXP_LSB frac0x00800000
-C #define EXP_SEED_SIZE 256
-C #define EXP_MASK 0x7f800000
-C #define EXP_SHIFT 23
-C #define MAX_FRACT 0x007fffff
-C #define FRACT_MASK 0x007fffff
-C #define FRACT_SIZE 11 significant part of fraction
-C #define FRACT_SHIFT (EXP_SHIFT-FRACT_SIZE)
-C #define FRACT_SEED_SIZE (1<<(FRACT_SIZE+1)) one bit for even/odd
-C #define FRACT_FIRST (0x3f800000>>FRACT_SHIFT)
-C #define NOT_INITIALISED ~0
-C #define EXP_ADDR(val) (((val)&EXP_MASK)>>EXP_SHIFT)
-C #define FRACT_ADDR(val) (((val)&(FRACT_MASK|EXP_LSB))>>FRACT_SHIFT)
-
-C implicit none
- integer*4 nexp,nfract,maxfract
- integer*4 fractshift,fractmask,fractf
- integer*4 expshift,expmask,explsb
- integer*4 expseed,fracseed
- parameter (nexp=256,nfract=4096,maxfract=8388607)
- parameter (fractshift=12,fractmask=8388607,fractf=1065353216)
- parameter (expshift=23,expmask=2139095040,explsb=8388608)
- common /seed/ expseed(nexp),fracseed(nfract)
- integer*4 fl2i,fractaddr,expaddr
- real*4 i2fl
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
#include "network.h"
/* used for npri */
-#ifdef _SGI_
+#ifdef __sgi
#include <sys/schedctl.h>
#include <sys/sysmp.h>
#endif
npall = add_parg(npall,&(all_pa),&motif_pa);
#endif
-#ifdef _SGI_
+#ifdef __sgi
#ifdef USE_SGI_FPE
npall = add_parg(npall,&(all_pa),&fpe_pa);
#endif
all_pa[i].desc = mk_desc(&(all_pa[i]));
}
-#ifdef _SGI_
+#ifdef __sgi
#ifdef USE_SGI_FPE
/* Install exception handler if necessary */
if (bExcept)
#endif
/* Set the nice level */
-#ifdef _SGI_
+#ifdef __sgi
if (bGUI)
if (npri)
sscanf(npristr[0],"%d",&npri);
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
* in a calling c program we call these wrapper syncronization
* routines from the fortran innerloops
*/
-#ifdef USEF77
+#ifdef USE_FORTRAN
void FUNCTION(inlsync)(int *nri,int *nthreads,int *count,int *ii0,
int *ii1, pthread_mutex_t *mtx)
{
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# FORTRAN function names are in upper case
-#
-define(`FUNCTION',`translit($1,abcdefghijklmnopqrstuvwxyz,ABCDEFGHIJKLMNOPQRSTUVWXYZ)')
-#
-# FORTRAN character strings are passed as follows:
-# XXX is this right?
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
segment .text
+ global check3dnow ; tries to issue a simple 3DNOW instruction
+check3dnow:
+ femms
+ pfmul mm0,mm0
+ femms
+ ret
+
+
+ global vecrecip_3dnow
+vecrecip_3dnow
+ push ebp
+ mov ebp,esp
+ push eax
+ push ebx
+ push ecx
+ push edx
+
+ mov eax, [ebp + 8]
+ mov ebx, [ebp + 12]
+ mov ecx, [ebp + 16]
+ mov edx, ecx
+ shr ecx, 2
+ jecxz .tail
+ emms
+.mainloop:
+ movq mm0,[eax]
+ add eax, byte 8
+ pfrcp mm1,mm0
+ movq mm4,[eax]
+ pswapd mm0,mm0
+ add eax, byte 8
+ pfrcp mm2,mm0
+ pswapd mm0,mm0
+ pfrcp mm5,mm4
+ pswapd mm4,mm4
+ punpckldq mm1,mm2
+ pfrcp mm6,mm4
+ pswapd mm4,mm4
+ pfrcpit1 mm0,mm1
+ punpckldq mm5,mm6
+ pfrcpit2 mm0,mm1
+ movq [ebx],mm0
+ pfrcpit1 mm4,mm5
+ add ebx, byte 8
+ pfrcpit2 mm4,mm5
+ movq [ebx],mm4
+ add ebx, byte 8
+ dec ecx
+ jecxz .tail
+ jmp short .mainloop
+.tail:
+ mov ecx,edx
+ and ecx,3
+ jecxz .end
+.tailloop:
+ movd mm0,[eax]
+ add eax, byte 4
+ pfrcp mm1,mm0
+ pfrcpit1 mm0,mm1
+ pfrcpit2 mm0,mm1
+ movd [ebx],mm0
+ add ebx, byte 4
+ dec ecx
+ jecxz .end
+ jmp short .tailloop
+.end:
+ emms
+ pop edx
+ pop ecx
+ pop ebx
+ pop eax
+ leave
+ ret
+
+
+segment .text
+
+ global vecinvsqrt_3dnow
+vecinvsqrt_3dnow
+ push ebp
+ mov ebp,esp
+ push eax
+ push ebx
+ push ecx
+ push edx
+
+ mov eax, [ebp + 8]
+ mov ebx, [ebp + 12]
+ mov ecx, [ebp + 16]
+ mov edx, ecx
+ shr ecx, 2
+ jecxz .tail
+ emms
+.mainloop:
+ movq mm0,[eax]
+ add eax, byte 8
+ pfrsqrt mm1,mm0
+ movq mm4,[eax]
+ pswapd mm0,mm0
+ add eax, byte 8
+ pfrsqrt mm2,mm0
+ pswapd mm0,mm0
+ pfrsqrt mm5,mm4
+ pswapd mm4,mm4
+ punpckldq mm1,mm2
+ pfrsqrt mm6,mm4
+ movq mm3,mm1
+ pswapd mm4,mm4
+ pfmul mm1,mm1
+ punpckldq mm5,mm6
+ pfrsqit1 mm1,mm0
+ movq mm7,mm5
+ pfrcpit2 mm1,mm3
+ pfmul mm5,mm5
+ movq [ebx],mm1
+ pfrsqit1 mm5,mm4
+ add ebx, byte 8
+ pfrcpit2 mm5,mm7
+ movq [ebx],mm5
+ add ebx, byte 8
+ dec ecx
+ jecxz .tail
+ jmp short .mainloop
+.tail:
+ mov ecx,edx
+ and ecx,3
+ jecxz .end
+.tailloop:
+ movd mm0,[eax]
+ add eax, byte 4
+ pfrsqrt mm1,mm0
+ movq mm2,mm1
+ pfmul mm1,mm1
+ pfrsqit1 mm1,mm0
+ pfrcpit2 mm1,mm2
+ movd [ebx],mm1
+ add ebx, byte 4
+ dec ecx
+ jecxz .end
+ jmp short .tailloop
+.end:
+ emms
+ pop edx
+ pop ecx
+ pop ebx
+ pop eax
+ leave
+ ret
+
proc inl0100_3dnow
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
#include <stdio.h>
+#include <x86_cpu.h>
+
+#if(defined USE_SSE || defined USE_3DNOW)
+/* there is a fallback routine at the end
+ * of this file which returns UNKNOWN_CPU
+ * if we do not use x86 support
+ */
#include <signal.h>
#include <setjmp.h>
-#include "x86cpu.h"
-
-
+/* These are actually only local variables to x86cpu,
+ * but then gcc complains hard and says they might
+ * be clobbered by the longjmp. We get rid of this
+ * warning by making them global...
+ */
+static int cpuSSE,cpu3DNow,doSSE,do3DNow,cpuflags;
+
static jmp_buf mainloop;
static int success=1;
int check_x86cpu(FILE *log)
{
unsigned long eax,ebx,ecx,edx;
- int cpuSSE;
- int cpu3DNow;
- int doSSE;
- int do3DNow;
-
- cpuSSE=cpu3DNow=doSSE=do3DNow=0;
+
+ cpuSSE=cpu3DNow=doSSE=do3DNow=cpuflags=0;
- if(log)
- fprintf(log,"\nTesting x86 processor and OS capabilities:\n");
+ if(log)
+ fprintf(log,"\nTesting x86 processor CPUID...\n");
/* start by trying to issue the cpuid instruction */
success=1;
signal(SIGILL,sigill_handler);
setjmp(mainloop); /* return to this point if we get SIGILL */
if(success)
- gmxcpuid(0,&eax,&ebx,&ecx,&edx);
+ x86_cpuid(0,&eax,&ebx,&ecx,&edx);
else if(log)
fprintf(log,"This CPU doesn't support CPUID.\n");
if(eax>0) {
+ cpuflags |= X86_CPU;
+#ifdef USE_SSE
+ fprintf(log,"\nTesting x86 SSE capabilities...\n");
if(ebx==VENDOR_INTEL) {
/* intel - we need SSE support, bit 25 of edx should be set */
- gmxcpuid(1,&eax,&ebx,&ecx,&edx);
+ x86_cpuid(1,&eax,&ebx,&ecx,&edx);
if(edx & FLAGS_SUPPORT_SSE) {
cpuSSE=1;
/* try it */
if(success) {
checksse();
doSSE=1;
+ cpuflags |= X86_SSE_SUPPORT;
}
}
- } else if(ebx==VENDOR_AMD) {
+ }
+#endif
+#ifdef USE_3DNOW
+ fprintf(log,"\nTesting x86 3DNow capabilities...\n");
+ if(ebx==VENDOR_AMD) {
/* amd - start by checking for extended functions */
- gmxcpuid(0x80000000,&eax,&ebx,&ecx,&edx);
+ x86_cpuid(0x80000000,&eax,&ebx,&ecx,&edx);
if(eax>=0x80000001) {
- gmxcpuid(0x80000001,&eax,&ebx,&ecx,&edx);
+ x86_cpuid(0x80000001,&eax,&ebx,&ecx,&edx);
if(edx & FLAGS_SUPPORT_EXT_3DNOW) {
cpu3DNow=1;
/* try it */
if(success) {
check3dnow();
do3DNow=1;
+ cpuflags |= X86_3DNOW_SUPPORT;
}
}
}
}
+#endif
}
if(doSSE) {
if(log)
fprintf(log,"CPU and OS support SSE.\n"
"Using Gromacs SSE assembly innerloops.\n\n");
- return X86_SSE;
} else if(do3DNow) {
if(log)
fprintf(log,"CPU and OS support extended 3DNow.\n"
"Using Gromacs 3DNow assembly innerloops.\n\n");
- return X86_3DNOW;
} else if(log) {
- if(!cpuSSE && !cpu3DNow)
- fprintf(log,"No SSE or 3DNow support found.\n");
- else if(cpuSSE) {
+ if(cpuSSE) {
fprintf(log,"CPU supports SSE, but your OS doesn't.\n");
fprintf(stderr,"NOTE: This version of gromacs is compiled with assembly innerloops\n"
" using Intel SSE instructions. Your processor supports this,\n"
" but not your OS. Fixing this (e.g., upgrade to linux kernel 2.4)\n"
- " will boost your gromacs performance significantly.\n");
- }
- else if(cpu3DNow)
+ " will boost your gromacs performance SIGNIFICANTLY.\n");
+ } else if(cpu3DNow) {
fprintf(log,"CPU supports extended 3DNow, but your OS doesn't.\n");
+ } else if(!cpuSSE && !cpu3DNow) {
+#ifdef USE_SSE
+ fprintf(log,"No SSE support found.\n");
+#else
+ fprintf(log,"Not checking SEE support.\n");
+#endif
+#ifdef USE_3DNOW
+ fprintf(log,"No 3DNow support found.\n");
+#else
+ fprintf(log,"Not checking 3DNow support.\n");
+#endif
+ }
fprintf(log,"Using normal Gromacs innerloops.\n\n");
}
- return X86_NOOPT;
+ return cpuflags;
+}
+
+#else /* no x86 support */
+int check_x86cpu(FILE *log)
+{
+ return UNKNOWN_CPU;
}
+#endif
+ ;; this file must be processed with a version
+ ;; of nasm that supports the extended 3dnow instructions.
+ ;; you can find a binary of such a version on the
+ ;; gromacs homepage.
segment .text
- global gmxcpuid ; issues the cpuid instruction with supplied args
-gmxcpuid:
+ global x86_cpuid ; issues the cpuid instruction with supplied args
+x86_cpuid:
push ebp
mov ebp,esp
push edi
mov esp, ebp
pop ebp
ret
-
- global checksse ; tries to issue a simple SSE instruction
-checksse:
- xorps xmm0,xmm0
- ret
-
- global check3dnow ; tries to issue a simple 3DNOW instruction
-check3dnow:
- pfmul mm0,mm0
- ret
-
segment .data
+sse_minushalf
+ dd -0.5
+ dd -0.5
+ dd -0.5
+ dd -0.5
sse_half
dd 0.5
dd 0.5
segment .text
+ global checksse ; tries to issue a simple SSE instruction
+checksse:
+ emms
+ xorps xmm0,xmm0
+ emms
+ ret
+
+align 16
+ global vecinvsqrt_sse
+vecinvsqrt_sse
+ push ebp
+ mov ebp,esp
+ push eax
+ push ebx
+ push ecx
+ push edx
+
+ mov eax, [ebp + 8]
+ mov ebx, [ebp + 12]
+ mov ecx, [ebp + 16]
+ mov edx, ecx
+ movups xmm6,[sse_three]
+ movups xmm7,[sse_half]
+ shr ecx, 3
+ jecxz .iter4
+ emms
+.loop8:
+ movaps xmm0,[eax]
+ add eax, byte 16
+ rsqrtps xmm1,xmm0
+ movaps xmm2,[eax]
+ add eax, byte 16
+ rsqrtps xmm3,xmm2
+ mulps xmm0,xmm1
+ mulps xmm2,xmm3
+ mulps xmm0,xmm1
+ mulps xmm2,xmm3
+ subps xmm0,xmm6
+ subps xmm2,xmm6
+ mulps xmm0,xmm1
+ mulps xmm2,xmm3
+ mulps xmm0,xmm7
+ mulps xmm2,xmm7
+ movaps [ebx],xmm0
+ add ebx, byte 16
+ movaps [ebx],xmm2
+ add ebx, byte 16
+ dec ecx
+ jecxz .iter4
+ jmp .loop8
+.iter4:
+ mov ecx,edx
+ and ecx,4
+ jecxz .iter2
+ movaps xmm0,[eax]
+ add eax, byte 16
+ rsqrtps xmm1,xmm0
+ mulps xmm0,xmm1
+ mulps xmm0,xmm1
+ subps xmm0,xmm6
+ mulps xmm0,xmm1
+ mulps xmm0,xmm7
+ movaps [ebx],xmm0
+ add ebx, byte 16
+.iter2:
+ mov ecx,edx
+ and ecx,2
+ jecxz .iter1
+ movlps xmm0,[eax]
+ add eax, byte 8
+ rsqrtps xmm1,xmm0
+ mulps xmm0,xmm1
+ mulps xmm0,xmm1
+ subps xmm0,xmm6
+ mulps xmm0,xmm1
+ mulps xmm0,xmm7
+ movlps [ebx],xmm0
+ add ebx, byte 8
+.iter1:
+ mov ecx,edx
+ and ecx,1
+ jecxz .end
+ movss xmm0,[eax]
+ rsqrtss xmm1,xmm0
+ mulss xmm0,xmm1
+ mulss xmm0,xmm1
+ subss xmm0,xmm6
+ mulss xmm0,xmm1
+ mulss xmm0,xmm7
+ movss [ebx],xmm0
+.end:
+ emms
+ pop edx
+ pop ecx
+ pop ebx
+ pop eax
+ leave
+ ret
+
+ global vecrecip_sse
+vecrecip_sse
+ push ebp
+ mov ebp,esp
+ push eax
+ push ebx
+ push ecx
+ push edx
+
+ mov eax, [ebp + 8]
+ mov ebx, [ebp + 12]
+ mov ecx, [ebp + 16]
+ mov edx, ecx
+ movups xmm6,[sse_two]
+ shr ecx, 3
+ jecxz .iter4
+ emms
+.loop8:
+ movaps xmm0,[eax]
+ add eax, byte 16
+ rcpps xmm1,xmm0
+ movaps xmm3,[eax]
+ add eax, byte 16
+ rcpps xmm4,xmm3
+ movaps xmm2,xmm6
+ mulps xmm0,xmm1
+ movaps xmm5,xmm6
+ subps xmm2,xmm0
+ mulps xmm3,xmm4
+ mulps xmm2,xmm1
+ subps xmm5,xmm3
+ movaps [ebx],xmm2
+ mulps xmm5,xmm4
+ add ebx, byte 16
+ movaps [ebx],xmm5
+ add ebx, byte 16
+ dec ecx
+ jecxz .iter4
+ jmp .loop8
+.iter4:
+ mov ecx,edx
+ and ecx,4
+ jecxz .iter2
+ movaps xmm0,[eax]
+ add eax, byte 16
+ rcpps xmm1,xmm0
+ movaps xmm2,xmm6
+ mulps xmm0,xmm1
+ subps xmm2,xmm0
+ mulps xmm2,xmm1
+ movaps [ebx],xmm2
+ add ebx, byte 16
+.iter2:
+ mov ecx,edx
+ and ecx,2
+ jecxz .iter1
+ movlps xmm0,[eax]
+ add eax, byte 8
+ rcpps xmm1,xmm0
+ movaps xmm2,xmm6
+ mulps xmm0,xmm1
+ subps xmm2,xmm0
+ mulps xmm2,xmm1
+ movlps [ebx],xmm2
+ add ebx, byte 8
+.iter1:
+ mov ecx,edx
+ and ecx,1
+ jecxz .end
+ movss xmm0,[eax]
+ rcpss xmm1,xmm0
+ movss xmm2,xmm6
+ mulss xmm0,xmm1
+ subss xmm2,xmm0
+ mulss xmm2,xmm1
+ movss [ebx],xmm2
+.end:
+ emms
+ pop edx
+ pop ecx
+ pop ebx
+ pop eax
+ leave
+ ret
+
proc inl0100_sse
%$nri arg
+++ /dev/null
- ;; this file must be processed with a version
- ;; of nasm that supports the extended 3dnow instructions.
- ;; you can find a binary of such a version on the
- ;; gromacs homepage.
-segment .text
- global gmxcpuid ; issues the cpuid instruction with supplied args
-gmxcpuid:
- push ebp
- mov ebp,esp
- push edi
- push ebx
- push ecx
- push edx
- mov eax, [ebp+8]
- cpuid
- mov edi, [ebp+12]
- mov [edi],eax
- mov edi, [ebp+16]
- mov [edi],ebx
- mov edi, [ebp+20]
- mov [edi],ecx
- mov edi, [ebp+24]
- mov [edi],edx
- pop edx
- pop ecx
- pop ebx
- pop edi
- mov esp, ebp
- pop ebp
- ret
-
- global checksse ; tries to issue a simple SSE instruction
-checksse:
- emms
- xorps xmm0,xmm0
- emms
- ret
-
- global check3dnow ; tries to issue a simple 3DNOW instruction
-check3dnow:
- femms
- pfmul mm0,mm0
- femms
- ret
-
-
- global vecrecip_3dnow
-vecrecip_3dnow
- push ebp
- mov ebp,esp
- push eax
- push ebx
- push ecx
- push edx
-
- mov eax, [ebp + 8]
- mov ebx, [ebp + 12]
- mov ecx, [ebp + 16]
- mov edx, ecx
- shr ecx, 2
- jecxz .tail
- emms
-.mainloop:
- movq mm0,[eax]
- add eax, byte 8
- pfrcp mm1,mm0
- movq mm4,[eax]
- pswapd mm0,mm0
- add eax, byte 8
- pfrcp mm2,mm0
- pswapd mm0,mm0
- pfrcp mm5,mm4
- pswapd mm4,mm4
- punpckldq mm1,mm2
- pfrcp mm6,mm4
- pswapd mm4,mm4
- pfrcpit1 mm0,mm1
- punpckldq mm5,mm6
- pfrcpit2 mm0,mm1
- movq [ebx],mm0
- pfrcpit1 mm4,mm5
- add ebx, byte 8
- pfrcpit2 mm4,mm5
- movq [ebx],mm4
- add ebx, byte 8
- dec ecx
- jecxz .tail
- jmp short .mainloop
-.tail:
- mov ecx,edx
- and ecx,3
- jecxz .end
-.tailloop:
- movd mm0,[eax]
- add eax, byte 4
- pfrcp mm1,mm0
- pfrcpit1 mm0,mm1
- pfrcpit2 mm0,mm1
- movd [ebx],mm0
- add ebx, byte 4
- dec ecx
- jecxz .end
- jmp short .tailloop
-.end:
- emms
- pop edx
- pop ecx
- pop ebx
- pop eax
- leave
- ret
-
-
-segment .text
-
- global vecinvsqrt_3dnow
-vecinvsqrt_3dnow
- push ebp
- mov ebp,esp
- push eax
- push ebx
- push ecx
- push edx
-
- mov eax, [ebp + 8]
- mov ebx, [ebp + 12]
- mov ecx, [ebp + 16]
- mov edx, ecx
- shr ecx, 2
- jecxz .tail
- emms
-.mainloop:
- movq mm0,[eax]
- add eax, byte 8
- pfrsqrt mm1,mm0
- movq mm4,[eax]
- pswapd mm0,mm0
- add eax, byte 8
- pfrsqrt mm2,mm0
- pswapd mm0,mm0
- pfrsqrt mm5,mm4
- pswapd mm4,mm4
- punpckldq mm1,mm2
- pfrsqrt mm6,mm4
- movq mm3,mm1
- pswapd mm4,mm4
- pfmul mm1,mm1
- punpckldq mm5,mm6
- pfrsqit1 mm1,mm0
- movq mm7,mm5
- pfrcpit2 mm1,mm3
- pfmul mm5,mm5
- movq [ebx],mm1
- pfrsqit1 mm5,mm4
- add ebx, byte 8
- pfrcpit2 mm5,mm7
- movq [ebx],mm5
- add ebx, byte 8
- dec ecx
- jecxz .tail
- jmp short .mainloop
-.tail:
- mov ecx,edx
- and ecx,3
- jecxz .end
-.tailloop:
- movd mm0,[eax]
- add eax, byte 4
- pfrsqrt mm1,mm0
- movq mm2,mm1
- pfmul mm1,mm1
- pfrsqit1 mm1,mm0
- pfrcpit2 mm1,mm2
- movd [ebx],mm1
- add ebx, byte 4
- dec ecx
- jecxz .end
- jmp short .tailloop
-.end:
- emms
- pop edx
- pop ecx
- pop ebx
- pop eax
- leave
- ret
-
-
-segment .data
-sse_three
- dd 3.0
- dd 3.0
- dd 3.0
- dd 3.0
-sse_half
- dd -0.5
- dd -0.5
- dd -0.5
- dd -0.5
-sse_two
- dd 2.0
- dd 2.0
- dd 2.0
- dd 2.0
-
-
-segment .text
-align 16
- global vecinvsqrt_sse
-vecinvsqrt_sse
- push ebp
- mov ebp,esp
- push eax
- push ebx
- push ecx
- push edx
-
- mov eax, [ebp + 8]
- mov ebx, [ebp + 12]
- mov ecx, [ebp + 16]
- mov edx, ecx
- movups xmm6,[sse_three]
- movups xmm7,[sse_half]
- shr ecx, 3
- jecxz .iter4
- emms
-.loop8:
- movaps xmm0,[eax]
- add eax, byte 16
- rsqrtps xmm1,xmm0
- movaps xmm2,[eax]
- add eax, byte 16
- rsqrtps xmm3,xmm2
- mulps xmm0,xmm1
- mulps xmm2,xmm3
- mulps xmm0,xmm1
- mulps xmm2,xmm3
- subps xmm0,xmm6
- subps xmm2,xmm6
- mulps xmm0,xmm1
- mulps xmm2,xmm3
- mulps xmm0,xmm7
- mulps xmm2,xmm7
- movaps [ebx],xmm0
- add ebx, byte 16
- movaps [ebx],xmm2
- add ebx, byte 16
- dec ecx
- jecxz .iter4
- jmp .loop8
-.iter4:
- mov ecx,edx
- and ecx,4
- jecxz .iter2
- movaps xmm0,[eax]
- add eax, byte 16
- rsqrtps xmm1,xmm0
- mulps xmm0,xmm1
- mulps xmm0,xmm1
- subps xmm0,xmm6
- mulps xmm0,xmm1
- mulps xmm0,xmm7
- movaps [ebx],xmm0
- add ebx, byte 16
-.iter2:
- mov ecx,edx
- and ecx,2
- jecxz .iter1
- movlps xmm0,[eax]
- add eax, byte 8
- rsqrtps xmm1,xmm0
- mulps xmm0,xmm1
- mulps xmm0,xmm1
- subps xmm0,xmm6
- mulps xmm0,xmm1
- mulps xmm0,xmm7
- movlps [ebx],xmm0
- add ebx, byte 8
-.iter1:
- mov ecx,edx
- and ecx,1
- jecxz .end
- movss xmm0,[eax]
- rsqrtss xmm1,xmm0
- mulss xmm0,xmm1
- mulss xmm0,xmm1
- subss xmm0,xmm6
- mulss xmm0,xmm1
- mulss xmm0,xmm7
- movss [ebx],xmm0
-.end:
- emms
- pop edx
- pop ecx
- pop ebx
- pop eax
- leave
- ret
-
- global vecrecip_sse
-vecrecip_sse
- push ebp
- mov ebp,esp
- push eax
- push ebx
- push ecx
- push edx
-
- mov eax, [ebp + 8]
- mov ebx, [ebp + 12]
- mov ecx, [ebp + 16]
- mov edx, ecx
- movups xmm6,[sse_two]
- shr ecx, 3
- jecxz .iter4
- emms
-.loop8:
- movaps xmm0,[eax]
- add eax, byte 16
- rcpps xmm1,xmm0
- movaps xmm3,[eax]
- add eax, byte 16
- rcpps xmm4,xmm3
- movaps xmm2,xmm6
- mulps xmm0,xmm1
- movaps xmm5,xmm6
- subps xmm2,xmm0
- mulps xmm3,xmm4
- mulps xmm2,xmm1
- subps xmm5,xmm3
- movaps [ebx],xmm2
- mulps xmm5,xmm4
- add ebx, byte 16
- movaps [ebx],xmm5
- add ebx, byte 16
- dec ecx
- jecxz .iter4
- jmp .loop8
-.iter4:
- mov ecx,edx
- and ecx,4
- jecxz .iter2
- movaps xmm0,[eax]
- add eax, byte 16
- rcpps xmm1,xmm0
- movaps xmm2,xmm6
- mulps xmm0,xmm1
- subps xmm2,xmm0
- mulps xmm2,xmm1
- movaps [ebx],xmm2
- add ebx, byte 16
-.iter2:
- mov ecx,edx
- and ecx,2
- jecxz .iter1
- movlps xmm0,[eax]
- add eax, byte 8
- rcpps xmm1,xmm0
- movaps xmm2,xmm6
- mulps xmm0,xmm1
- subps xmm2,xmm0
- mulps xmm2,xmm1
- movlps [ebx],xmm2
- add ebx, byte 8
-.iter1:
- mov ecx,edx
- and ecx,1
- jecxz .end
- movss xmm0,[eax]
- rcpss xmm1,xmm0
- movss xmm2,xmm6
- mulss xmm0,xmm1
- subss xmm2,xmm0
- mulss xmm2,xmm1
- movss [ebx],xmm2
-.end:
- emms
- pop edx
- pop ecx
- pop ebx
- pop eax
- leave
- ret
-
+++ /dev/null
-divert(-1)
-undefine(`len')
-#
-# append an underscore to FORTRAN function names
-#
-define(`FUNCTION',`$1_')
-#
-# FORTRAN character strings are passed as follows:
-# a pointer to the base of the string is passed in the normal
-# argument list, and the length is passed by value as an extra
-# argument, after all of the other arguments.
-#
-define(`ARGS',`($1`'undivert(1))')
-define(`SAVE',`divert(1)$1`'divert(0)')
-define(`STRING_ARG',`$1_ptr`'SAVE(`, $1_len')')
-define(`STRING_ARG_DECL',`char * $1_ptr; int $1_len')
-define(`STRING_LEN',`$1_len')
-define(`STRING_PTR',`$1_ptr')
-divert(0)
+++ /dev/null
-add_par.o: $(GMXHOME)/src/include/typedefs.h
-add_par.o: $(GMXHOME)/src/include/sysstuff.h
-add_par.o: $(GMXHOME)/src/include/types/simple.h
-add_par.o: $(GMXHOME)/src/include/types/enums.h
-add_par.o: $(GMXHOME)/src/include/types/block.h
-add_par.o: $(GMXHOME)/src/include/types/symtab.h
-add_par.o: $(GMXHOME)/src/include/types/idef.h
-add_par.o: $(GMXHOME)/src/include/types/atoms.h
-add_par.o: $(GMXHOME)/src/include/types/trx.h
-add_par.o: $(GMXHOME)/src/include/types/topology.h
-add_par.o: $(GMXHOME)/src/include/types/energy.h
-add_par.o: $(GMXHOME)/src/include/types/inputrec.h
-add_par.o: $(GMXHOME)/src/include/types/nsborder.h
-add_par.o: $(GMXHOME)/src/include/types/ishift.h
-add_par.o: $(GMXHOME)/src/include/types/graph.h
-add_par.o: $(GMXHOME)/src/include/fatal.h
-add_par.o: $(GMXHOME)/src/include/types/nrnb.h
-add_par.o: $(GMXHOME)/src/include/types/nblist.h
-add_par.o: $(GMXHOME)/src/include/types/nsgrid.h
-add_par.o: $(GMXHOME)/src/include/types/commrec.h
-add_par.o: $(GMXHOME)/src/include/types/forcerec.h
-add_par.o: $(GMXHOME)/src/include/types/mdatom.h
-add_par.o: $(GMXHOME)/src/include/types/ifunc.h
-add_par.o: $(GMXHOME)/src/include/types/filenm.h
-add_par.o: $(GMXHOME)/src/include/types/group.h
-add_par.o: $(GMXHOME)/src/include/types/drblock.h
-add_par.o: $(GMXHOME)/src/include/types/parm.h
-add_par.o: $(GMXHOME)/src/include/types/matrix.h
-add_par.o: $(GMXHOME)/src/include/types/edsams.h
-add_par.o: $(GMXHOME)/src/include/types/pulls.h
-add_par.o: $(GMXHOME)/src/include/smalloc.h
-add_par.o: $(GMXHOME)/src/include/grompp.h
-add_par.o: $(GMXHOME)/src/include/macros.h
-add_par.o: $(GMXHOME)/src/include/pdbio.h
-add_par.o: $(GMXHOME)/src/include/symtab.h
-add_par.o: $(GMXHOME)/src/include/string2.h
-convparm.o: $(GMXHOME)/src/include/sysstuff.h
-convparm.o: $(GMXHOME)/src/include/physics.h
-convparm.o: $(GMXHOME)/src/include/vec.h
-convparm.o: $(GMXHOME)/src/include/maths.h
-convparm.o: $(GMXHOME)/src/include/typedefs.h
-convparm.o: $(GMXHOME)/src/include/types/simple.h
-convparm.o: $(GMXHOME)/src/include/types/enums.h
-convparm.o: $(GMXHOME)/src/include/types/block.h
-convparm.o: $(GMXHOME)/src/include/types/symtab.h
-convparm.o: $(GMXHOME)/src/include/types/idef.h
-convparm.o: $(GMXHOME)/src/include/types/atoms.h
-convparm.o: $(GMXHOME)/src/include/types/trx.h
-convparm.o: $(GMXHOME)/src/include/types/topology.h
-convparm.o: $(GMXHOME)/src/include/types/energy.h
-convparm.o: $(GMXHOME)/src/include/types/inputrec.h
-convparm.o: $(GMXHOME)/src/include/types/nsborder.h
-convparm.o: $(GMXHOME)/src/include/types/ishift.h
-convparm.o: $(GMXHOME)/src/include/types/graph.h
-convparm.o: $(GMXHOME)/src/include/fatal.h
-convparm.o: $(GMXHOME)/src/include/types/nrnb.h
-convparm.o: $(GMXHOME)/src/include/types/nblist.h
-convparm.o: $(GMXHOME)/src/include/types/nsgrid.h
-convparm.o: $(GMXHOME)/src/include/types/commrec.h
-convparm.o: $(GMXHOME)/src/include/types/forcerec.h
-convparm.o: $(GMXHOME)/src/include/types/mdatom.h
-convparm.o: $(GMXHOME)/src/include/types/ifunc.h
-convparm.o: $(GMXHOME)/src/include/types/filenm.h
-convparm.o: $(GMXHOME)/src/include/types/group.h
-convparm.o: $(GMXHOME)/src/include/types/drblock.h
-convparm.o: $(GMXHOME)/src/include/types/parm.h
-convparm.o: $(GMXHOME)/src/include/types/matrix.h
-convparm.o: $(GMXHOME)/src/include/types/edsams.h
-convparm.o: $(GMXHOME)/src/include/types/pulls.h
-convparm.o: $(GMXHOME)/src/include/macros.h
-convparm.o: $(GMXHOME)/src/include/x86cpu.h
-convparm.o: $(GMXHOME)/src/include/assert.h
-convparm.o: $(GMXHOME)/src/include/smalloc.h
-convparm.o: $(GMXHOME)/src/include/string2.h
-convparm.o: $(GMXHOME)/src/include/grompp.h
-convparm.o: $(GMXHOME)/src/include/names.h
-dum_parm.o: $(GMXHOME)/src/include/assert.h
-dum_parm.o: $(GMXHOME)/src/include/sysstuff.h
-dum_parm.o: $(GMXHOME)/src/include/typedefs.h
-dum_parm.o: $(GMXHOME)/src/include/types/simple.h
-dum_parm.o: $(GMXHOME)/src/include/types/enums.h
-dum_parm.o: $(GMXHOME)/src/include/types/block.h
-dum_parm.o: $(GMXHOME)/src/include/types/symtab.h
-dum_parm.o: $(GMXHOME)/src/include/types/idef.h
-dum_parm.o: $(GMXHOME)/src/include/types/atoms.h
-dum_parm.o: $(GMXHOME)/src/include/types/trx.h
-dum_parm.o: $(GMXHOME)/src/include/types/topology.h
-dum_parm.o: $(GMXHOME)/src/include/types/energy.h
-dum_parm.o: $(GMXHOME)/src/include/types/inputrec.h
-dum_parm.o: $(GMXHOME)/src/include/types/nsborder.h
-dum_parm.o: $(GMXHOME)/src/include/types/ishift.h
-dum_parm.o: $(GMXHOME)/src/include/types/graph.h
-dum_parm.o: $(GMXHOME)/src/include/fatal.h
-dum_parm.o: $(GMXHOME)/src/include/types/nrnb.h
-dum_parm.o: $(GMXHOME)/src/include/types/nblist.h
-dum_parm.o: $(GMXHOME)/src/include/types/nsgrid.h
-dum_parm.o: $(GMXHOME)/src/include/types/commrec.h
-dum_parm.o: $(GMXHOME)/src/include/types/forcerec.h
-dum_parm.o: $(GMXHOME)/src/include/types/mdatom.h
-dum_parm.o: $(GMXHOME)/src/include/types/ifunc.h
-dum_parm.o: $(GMXHOME)/src/include/types/filenm.h
-dum_parm.o: $(GMXHOME)/src/include/types/group.h
-dum_parm.o: $(GMXHOME)/src/include/types/drblock.h
-dum_parm.o: $(GMXHOME)/src/include/types/parm.h
-dum_parm.o: $(GMXHOME)/src/include/types/matrix.h
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-tpbcmp.o: $(GMXHOME)/src/include/names.h
-tpbcmp.o: $(GMXHOME)/src/include/enxio.h
-tpbconv.o: $(GMXHOME)/src/include/rdgroup.h
-tpbconv.o: $(GMXHOME)/src/include/typedefs.h
-tpbconv.o: $(GMXHOME)/src/include/sysstuff.h
-tpbconv.o: $(GMXHOME)/src/include/types/simple.h
-tpbconv.o: $(GMXHOME)/src/include/types/enums.h
-tpbconv.o: $(GMXHOME)/src/include/types/block.h
-tpbconv.o: $(GMXHOME)/src/include/types/symtab.h
-tpbconv.o: $(GMXHOME)/src/include/types/idef.h
-tpbconv.o: $(GMXHOME)/src/include/types/atoms.h
-tpbconv.o: $(GMXHOME)/src/include/types/trx.h
-tpbconv.o: $(GMXHOME)/src/include/types/topology.h
-tpbconv.o: $(GMXHOME)/src/include/types/energy.h
-tpbconv.o: $(GMXHOME)/src/include/types/inputrec.h
-tpbconv.o: $(GMXHOME)/src/include/types/nsborder.h
-tpbconv.o: $(GMXHOME)/src/include/types/ishift.h
-tpbconv.o: $(GMXHOME)/src/include/types/graph.h
-tpbconv.o: $(GMXHOME)/src/include/fatal.h
-tpbconv.o: $(GMXHOME)/src/include/types/nrnb.h
-tpbconv.o: $(GMXHOME)/src/include/types/nblist.h
-tpbconv.o: $(GMXHOME)/src/include/types/nsgrid.h
-tpbconv.o: $(GMXHOME)/src/include/types/commrec.h
-tpbconv.o: $(GMXHOME)/src/include/types/forcerec.h
-tpbconv.o: $(GMXHOME)/src/include/types/mdatom.h
-tpbconv.o: $(GMXHOME)/src/include/types/ifunc.h
-tpbconv.o: $(GMXHOME)/src/include/types/filenm.h
-tpbconv.o: $(GMXHOME)/src/include/types/group.h
-tpbconv.o: $(GMXHOME)/src/include/types/drblock.h
-tpbconv.o: $(GMXHOME)/src/include/types/parm.h
-tpbconv.o: $(GMXHOME)/src/include/types/matrix.h
-tpbconv.o: $(GMXHOME)/src/include/types/edsams.h
-tpbconv.o: $(GMXHOME)/src/include/types/pulls.h
-tpbconv.o: $(GMXHOME)/src/include/string2.h
-tpbconv.o: $(GMXHOME)/src/include/smalloc.h
-tpbconv.o: $(GMXHOME)/src/include/macros.h
-tpbconv.o: $(GMXHOME)/src/include/names.h
-tpbconv.o: $(GMXHOME)/src/include/tpxio.h
-tpbconv.o: $(GMXHOME)/src/include/xdrf.h
-tpbconv.o: $(GMXHOME)/src/include/trnio.h
-tpbconv.o: $(GMXHOME)/src/include/grompp.h
-tpbconv.o: $(GMXHOME)/src/include/statutil.h
-tpbconv.o: $(GMXHOME)/src/include/filenm.h
-tpbconv.o: $(GMXHOME)/src/include/futil.h
-tpbconv.o: $(GMXHOME)/src/include/readinp.h
-tpbconv.o: $(GMXHOME)/src/include/wman.h
-tpbconv.o: $(GMXHOME)/src/include/copyrite.h
-tpbconv.o: $(GMXHOME)/src/include/assert.h
-tpbconv.o: $(GMXHOME)/src/include/vec.h
-tpbconv.o: $(GMXHOME)/src/include/maths.h
-tpbconv.o: $(GMXHOME)/src/include/x86cpu.h
-x2top.o: $(GMXHOME)/src/include/maths.h
-x2top.o: $(GMXHOME)/src/include/typedefs.h
-x2top.o: $(GMXHOME)/src/include/sysstuff.h
-x2top.o: $(GMXHOME)/src/include/types/simple.h
-x2top.o: $(GMXHOME)/src/include/types/enums.h
-x2top.o: $(GMXHOME)/src/include/types/block.h
-x2top.o: $(GMXHOME)/src/include/types/symtab.h
-x2top.o: $(GMXHOME)/src/include/types/idef.h
-x2top.o: $(GMXHOME)/src/include/types/atoms.h
-x2top.o: $(GMXHOME)/src/include/types/trx.h
-x2top.o: $(GMXHOME)/src/include/types/topology.h
-x2top.o: $(GMXHOME)/src/include/types/energy.h
-x2top.o: $(GMXHOME)/src/include/types/inputrec.h
-x2top.o: $(GMXHOME)/src/include/types/nsborder.h
-x2top.o: $(GMXHOME)/src/include/types/ishift.h
-x2top.o: $(GMXHOME)/src/include/types/graph.h
-x2top.o: $(GMXHOME)/src/include/fatal.h
-x2top.o: $(GMXHOME)/src/include/types/nrnb.h
-x2top.o: $(GMXHOME)/src/include/types/nblist.h
-x2top.o: $(GMXHOME)/src/include/types/nsgrid.h
-x2top.o: $(GMXHOME)/src/include/types/commrec.h
-x2top.o: $(GMXHOME)/src/include/types/forcerec.h
-x2top.o: $(GMXHOME)/src/include/types/mdatom.h
-x2top.o: $(GMXHOME)/src/include/types/ifunc.h
-x2top.o: $(GMXHOME)/src/include/types/filenm.h
-x2top.o: $(GMXHOME)/src/include/types/group.h
-x2top.o: $(GMXHOME)/src/include/types/drblock.h
-x2top.o: $(GMXHOME)/src/include/types/parm.h
-x2top.o: $(GMXHOME)/src/include/types/matrix.h
-x2top.o: $(GMXHOME)/src/include/types/edsams.h
-x2top.o: $(GMXHOME)/src/include/types/pulls.h
-x2top.o: $(GMXHOME)/src/include/macros.h
-x2top.o: $(GMXHOME)/src/include/copyrite.h
-x2top.o: $(GMXHOME)/src/include/bondf.h
-x2top.o: $(GMXHOME)/src/include/nrnb.h
-x2top.o: $(GMXHOME)/src/include/pbc.h
-x2top.o: $(GMXHOME)/src/include/string2.h
-x2top.o: $(GMXHOME)/src/include/smalloc.h
-x2top.o: $(GMXHOME)/src/include/strdb.h
-x2top.o: $(GMXHOME)/src/include/confio.h
-x2top.o: $(GMXHOME)/src/include/physics.h
-x2top.o: $(GMXHOME)/src/include/statutil.h
-x2top.o: $(GMXHOME)/src/include/filenm.h
-x2top.o: $(GMXHOME)/src/include/futil.h
-x2top.o: $(GMXHOME)/src/include/readinp.h
-x2top.o: $(GMXHOME)/src/include/wman.h
-x2top.o: $(GMXHOME)/src/include/vec.h
-x2top.o: $(GMXHOME)/src/include/x86cpu.h
-x2top.o: $(GMXHOME)/src/include/random.h
-x2top.o: $(GMXHOME)/src/include/3dview.h
-x2top.o: $(GMXHOME)/src/include/txtdump.h
-x2top.o: $(GMXHOME)/src/include/tpxio.h
-x2top.o: $(GMXHOME)/src/include/xdrf.h
-x2top.o: $(GMXHOME)/src/include/names.h
-x2top.o: $(GMXHOME)/src/include/grompp.h
-x2top.o: $(GMXHOME)/src/include/pdbio.h
-x2top.o: $(GMXHOME)/src/include/symtab.h
-xlate.o: $(GMXHOME)/src/include/typedefs.h
-xlate.o: $(GMXHOME)/src/include/sysstuff.h
-xlate.o: $(GMXHOME)/src/include/types/simple.h
-xlate.o: $(GMXHOME)/src/include/types/enums.h
-xlate.o: $(GMXHOME)/src/include/types/block.h
-xlate.o: $(GMXHOME)/src/include/types/symtab.h
-xlate.o: $(GMXHOME)/src/include/types/idef.h
-xlate.o: $(GMXHOME)/src/include/types/atoms.h
-xlate.o: $(GMXHOME)/src/include/types/trx.h
-xlate.o: $(GMXHOME)/src/include/types/topology.h
-xlate.o: $(GMXHOME)/src/include/types/energy.h
-xlate.o: $(GMXHOME)/src/include/types/inputrec.h
-xlate.o: $(GMXHOME)/src/include/types/nsborder.h
-xlate.o: $(GMXHOME)/src/include/types/ishift.h
-xlate.o: $(GMXHOME)/src/include/types/graph.h
-xlate.o: $(GMXHOME)/src/include/fatal.h
-xlate.o: $(GMXHOME)/src/include/types/nrnb.h
-xlate.o: $(GMXHOME)/src/include/types/nblist.h
-xlate.o: $(GMXHOME)/src/include/types/nsgrid.h
-xlate.o: $(GMXHOME)/src/include/types/commrec.h
-xlate.o: $(GMXHOME)/src/include/types/forcerec.h
-xlate.o: $(GMXHOME)/src/include/types/mdatom.h
-xlate.o: $(GMXHOME)/src/include/types/ifunc.h
-xlate.o: $(GMXHOME)/src/include/types/filenm.h
-xlate.o: $(GMXHOME)/src/include/types/group.h
-xlate.o: $(GMXHOME)/src/include/types/drblock.h
-xlate.o: $(GMXHOME)/src/include/types/parm.h
-xlate.o: $(GMXHOME)/src/include/types/matrix.h
-xlate.o: $(GMXHOME)/src/include/types/edsams.h
-xlate.o: $(GMXHOME)/src/include/types/pulls.h
-xlate.o: $(GMXHOME)/src/include/strdb.h
-xlate.o: $(GMXHOME)/src/include/string2.h
-xlate.o: $(GMXHOME)/src/include/smalloc.h
-xlate.o: $(GMXHOME)/src/include/symtab.h
-xlate.o: $(GMXHOME)/src/include/index.h
+++ /dev/null
-#!gmake
-#
-# @(#) Makefile 1.112 4/15/97
-#
-#
-# GROMACS - Groningen Machine for Chemical Simulation
-# Copyright (c) 1990-1997, Groningen University
-#
-# Makefile for Gromacs kernel
-#
-ifeq ($(GMXHOME),)
-all:
- echo "No GROMACS environment, Please source your GMXRC file"
-else
-include $(GMXHOME)/src/makef/Makefile.def
-
-# libraries for mdrun
-MDLIBS = $(LIBDIR)/libgmx.$(GMXCPU).a \
- $(LIBDIR)/libmd.$(GMXCPU).a \
- $(LIBDIR)/libfftw.$(GMXCPU).a
-
-# some Common Objects:
-# Objects for grompp, pdb2gmx, tpbconv and protonate
-PGTRXOBJ = toputil.o topdirs.o
-
-# Objects for grompp, pdb2gmx, tpbconv and x2top
-PGTXOBJ = add_par.o topexcl.o $(PGTRXOBJ)
-
-# Objects for pdb2gmx, protonate and x2top
-PRXOBJ = pgutil.o resall.o hackblock.o $(PGTXOBJ)
-
-# Objects for pdb2gmx and protonate
-PROBJ = ter_db.o h_db.o genhydro.o $(PRXOBJ)
-
-# Objects for pdb2gmx and x2top
-PXOBJ = pdb2top.o gen_ad.o gen_dum.o $(PRXOBJ)
-
-# Objects for grompp and tpbconv
-GTOBJ = readir.o $(PGTROBJ) $(PGTXOBJ)
-
-# program-specific Objects
-# Objects for grompp
-GOBJ = \
- topio.o toppush.o topcat.o topshake.o \
- convparm.o tomorse.o sorting.o splitter.o \
- dum_parm.o $(GTOBJ)
-
-# Objects for pdb2gmx
-POBJ = \
- hizzie.o xlate.o specbond.o \
- $(PROBJ) $(PXOBJ)
-
-# Objects for tpbconv
-TOBJ = $(GTOBJ)
-
-# Objects for protonate
-ROBJ = $(PROBJ) hackblock.o
-
-# Objects for x2top
-XOBJ = $(PXOBJ) toppush.o nm2type.o
-
-ifneq ($(PARALLEL_ONLY_MDRUN),yes)
-PROGRAMS = \
- pdb2gmx protonate grompp tpbconv \
- mdrun nmrun gmxcheck gmxdump \
- luck x2top
-else
-PROGRAMS = mdrun
-endif
-
-include $(STDTARGET)
-
-all: bin
-
-grompp: grompp.o $(GOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-tpbconv: tpbconv.o $(TOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-pdb2gmx: pdb2gmx.o $(POBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-protonate: protonate.o $(ROBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-mdrun: mdrun.o $(MDLIBS)
- $(LD) $(RUNLDOPT) -o $@ mdrun.o $(RUNSYSLIBS)
-
-mk_ghat: mk_ghat.o
- $(LD) -o $@ $^ $(SYSLIBS) $(FFTLIBS) $(SYSLIBS)
-
-nmrun: nmrun.o
- $(LD) $(RUNLDOPT) -o $@ nmrun.o $(RUNSYSLIBS)
-
-luck: luck.o
- $(LD) $^ -o $@ $(SYSLIBS)
-
-gmxdump: gmxdump.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-gmxcheck: gmxcheck.o tpbcmp.o
- $(LD) -o $@ $^ $(SYSLIBS)
-tpbcmp.o: tpbcmp.h
-gmxcheck.o: tpbcmp.h
-
-x2top: x2top.o $(XOBJ)
- $(LD) -o $@ $^ $(SYSLIBS) -lm
-
-#
-# Testing stuff
-#
-test: test.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-resall: resall.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-ter_db: ter_db.o h_db.o resall.o pgutil.o $(GOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-opls2rtp: opls2rtp.o $(POBJ) toputil.o topdirs.o topexcl.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-testtop: testtop.o Makefile
- $(LD) testtop.o $(SYSLIBS) -o $@
-
-wb: wb.o Makefile
- $(LD) wb.o -o $@ $(SYSLIBS)
-
-ftest: ftest.o
- $(LD) ftest.o $(SYSLIBS) -o $@
-
-rbin: rbin.o
- $(LD) $^ $(SYSLIBS) -o $@
-
-ebin: ebin.o
- $(LD) $^ $(SYSLIBS) -o $@
-
-align: align.o
- $(LD) $^ $(SYSLIBS) -o $@
-
-ifeq ($(GMXCPU),amb)
-tgroup.o: tgroup.c
- $(CCCCC) $^
-steep.o: steep.c
- $(CCCCC) $^
-mvxvf.o: mvxvf.c
- $(CCCCC) $^
-endif
-
-ifeq ($(GMXCPU),am8)
-tgroup.o: tgroup.c
- $(CCCCC) $^
-steep.o: steep.c
- $(CCCCC) $^
-mvxvf.o: mvxvf.c
- $(CCCCC) $^
-endif
-
-hallo: hallo.o
- $(LD) $^ -o $@ $(SYSLIBS)
-
-testf: testf.o
- $(LD) -o $@ $^ -lm
-
-#topcat.o: topcat.c
-# $(CC) CFLAGS=$(LOWOPT) -c topcat.c
-
-$(GMXHOME)/src/makef/Makefile.def:
- echo "Wrong GROMACS environment, Please source GMXRC in this source tree"
-
-include Make.dep
-endif
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+include $(srcdir)/../Makefile.inc
+
+# This is necessary for VPATH to work,
+# but it can probably be done in a nicer way...
+INCLUDES = @INCLUDES@ -I$(top_srcdir)/src/include
+LDFLAGS = @LDFLAGS@ -L${top_builddir}/src/gmxlib -L${top_builddir}/src/mdlib
+LDADD = -lmdXXX_SUFFIX_XXX -lgmxXXX_SUFFIX_XXX
+
+
+bin_PROGRAMS = \
+ gromppXXX_SUFFIX_XXX mdrunXXX_SUFFIX_XXX \
+ tpbconvXXX_SUFFIX_XXX pdb2gmxXXX_SUFFIX_XXX \
+ protonateXXX_SUFFIX_XXX nmrunXXX_SUFFIX_XXX \
+ luckXXX_SUFFIX_XXX gmxdumpXXX_SUFFIX_XXX \
+ gmxcheckXXX_SUFFIX_XXX x2topXXX_SUFFIX_XXX
+
+
+
+gromppXXX_SUFFIX_XXX_SOURCES = \
+ topio.c toppush.c topcat.c topshake.c \
+ convparm.c tomorse.c sorting.c splitter.c \
+ dum_parm.c readir.c add_par.c topexcl.c \
+ toputil.c topdirs.c grompp.c add_par.h \
+ splitter.h topio.h toputil.h convparm.h \
+ sorting.h topdirs.h toppush.h dum_parm.h \
+ readir.h topcat.h topexcl.h topshake.h
+
+mdrunXXX_SUFFIX_XXX_SOURCES = \
+ mdrun.c
+
+tpbconvXXX_SUFFIX_XXX_SOURCES = \
+ readir.c toputil.c topdirs.c add_par.c \
+ topexcl.c tpbconv.c add_par.h toputil.h \
+ topdirs.h readir.h topexcl.h
+
+pdb2gmxXXX_SUFFIX_XXX_SOURCES = \
+ hizzie.c xlate.c specbond.c ter_db.c \
+ h_db.c genhydro.c pdb2top.c gen_ad.c \
+ gen_dum.c pgutil.c resall.c hackblock.c \
+ add_par.c topexcl.c toputil.c topdirs.c \
+ pdb2gmx.c gen_ad.h add_par.h h_db.h \
+ pdb2top.h resall.h toputil.h xlate.h \
+ gen_dum.h hackblock.h pgutil.h ter_db.h \
+ topdirs.h genhydro.h hizzie.h specbond.h \
+ topexcl.h
+
+protonateXXX_SUFFIX_XXX_SOURCES = \
+ hackblock.c ter_db.c h_db.c genhydro.c \
+ pgutil.c resall.c add_par.c topexcl.c \
+ toputil.c topdirs.c protonate.c add_par.h \
+ h_db.h resall.h toputil.h hackblock.h \
+ pgutil.h ter_db.h topdirs.h topexcl.h
+
+nmrunXXX_SUFFIX_XXX_SOURCES = \
+ nmrun.c
+
+luckXXX_SUFFIX_XXX_SOURCES = \
+ luck.c
+
+gmxdumpXXX_SUFFIX_XXX_SOURCES = \
+ gmxdump.c
+
+gmxcheckXXX_SUFFIX_XXX_SOURCES = \
+ gmxcheck.c tpbcmp.c tpbcmp.h
+
+x2topXXX_SUFFIX_XXX_SOURCES = \
+ toppush.c nm2type.c pdb2top.c gen_ad.c \
+ gen_dum.c pgutil.c resall.c hackblock.c \
+ add_par.c topexcl.c toputil.c topdirs.c \
+ x2top.c add_par.h gen_ad.h pdb2top.h \
+ resall.h toputil.h gen_dum.h hackblock.h \
+ pgutil.h topdirs.h toppush.h topexcl.h \
+ x2top.h
+
+install-mdrun: mdrunXXX_SUFFIX_XXX
+ $(mkinstalldirs) $(DESTDIR)$(bindir)
+ if test -f mdrunXXX_SUFFIX_XXX; then \
+ echo "$(INSTALL_PROGRAM) $(INSTALL_STRIP_FLAG) mdrunXXX_SUFFIX_XXX $(DESTDIR)$(bindir)/mdrunXXX_SUFFIX_XXX"; \
+ $(INSTALL_PROGRAM) $(INSTALL_STRIP_FLAG) mdrunXXX_SUFFIX_XXX $(DESTDIR)$(bindir)/mdrunXXX_SUFFIX_XXX; \
+ fi
+
+# clean things explicitly, since the target names might have changed
+
+CLEANFILES = ${bin_PROGRAMS} ${EXTRA_PROGRAMS} \
+ *_mpi *_d *~ \\\#*
+
+
+++ /dev/null
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/typedefs.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/sysstuff.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/simple.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/enums.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/block.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/symtab.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/idef.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/atoms.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/trx.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/topology.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/energy.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/inputrec.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/nsborder.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/ishift.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/graph.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/fatal.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/nrnb.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/nblist.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/nsgrid.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/commrec.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/forcerec.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/mdatom.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/ifunc.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/filenm.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/group.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/drblock.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/parm.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/matrix.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/edsams.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/types/pulls.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/network.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/main.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/vec.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/maths.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/macros.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/x86cpu.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/physics.h
-$(LIB)(calcmu.o): $(GMXHOME)/src/include/nsb.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/sysstuff.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/force.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/typedefs.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/simple.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/enums.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/block.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/symtab.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/idef.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/atoms.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/trx.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/topology.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/energy.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/inputrec.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/nsborder.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/ishift.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/graph.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/fatal.h
-$(LIB)(calcvir.o): $(GMXHOME)/src/include/types/nrnb.h
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-timefft.o: $(GMXHOME)/src/include/types/matrix.h
-timefft.o: $(GMXHOME)/src/include/types/edsams.h
-timefft.o: $(GMXHOME)/src/include/types/pulls.h
-timefft.o: $(GMXHOME)/src/include/macros.h
-timefft.o: $(GMXHOME)/src/include/smalloc.h
-timefft.o: $(GMXHOME)/src/include/xvgr.h
-timefft.o: $(GMXHOME)/src/include/viewit.h
-timefft.o: $(GMXHOME)/src/include/complex.h
-timefft.o: $(GMXHOME)/src/include/copyrite.h
-timefft.o: $(GMXHOME)/src/include/fftgrid.h
-timefft.o: $(GMXHOME)/src/include/fftw.h
-timefft.o: $(GMXHOME)/src/include/rfftw.h
-timefft.o: $(GMXHOME)/src/include/network.h
-timefft.o: $(GMXHOME)/src/include/main.h
-timefft.o: $(GMXHOME)/src/include/mdrun.h
-timefft.o: $(GMXHOME)/src/include/tgroup.h
-timefft.o: $(GMXHOME)/src/include/filenm.h
-timefft.o: $(GMXHOME)/src/include/futil.h
-timefft.o: $(GMXHOME)/src/include/nsb.h
-timefft.o: $(GMXHOME)/src/include/mshift.h
-timefft.o: $(GMXHOME)/src/include/force.h
-timefft.o: $(GMXHOME)/src/include/pbc.h
-timefft.o: $(GMXHOME)/src/include/edsam.h
-timefft.o: $(GMXHOME)/src/include/mdebin.h
-timefft.o: $(GMXHOME)/src/include/ebin.h
-timefft.o: $(GMXHOME)/src/include/enxio.h
-timefft.o: $(GMXHOME)/src/include/xdrf.h
-timefft.o: $(GMXHOME)/src/include/vcm.h
-timefft.o: $(GMXHOME)/src/include/statutil.h
-timefft.o: $(GMXHOME)/src/include/readinp.h
-timefft.o: $(GMXHOME)/src/include/wman.h
-$(LIB)(update.o): $(GMXHOME)/src/include/assert.h
-$(LIB)(update.o): $(GMXHOME)/src/include/sysstuff.h
-$(LIB)(update.o): $(GMXHOME)/src/include/smalloc.h
-$(LIB)(update.o): $(GMXHOME)/src/include/typedefs.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/simple.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/enums.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/block.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/symtab.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/idef.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/atoms.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/trx.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/topology.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/energy.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/inputrec.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/nsborder.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/ishift.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/graph.h
-$(LIB)(update.o): $(GMXHOME)/src/include/fatal.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/nrnb.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/nblist.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/nsgrid.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/commrec.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/forcerec.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/mdatom.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/ifunc.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/filenm.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/group.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/drblock.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/parm.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/matrix.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/edsams.h
-$(LIB)(update.o): $(GMXHOME)/src/include/types/pulls.h
-$(LIB)(update.o): $(GMXHOME)/src/include/nrnb.h
-$(LIB)(update.o): $(GMXHOME)/src/include/physics.h
-$(LIB)(update.o): $(GMXHOME)/src/include/macros.h
-$(LIB)(update.o): $(GMXHOME)/src/include/vveclib.h
-$(LIB)(update.o): $(GMXHOME)/src/include/vec.h
-$(LIB)(update.o): $(GMXHOME)/src/include/maths.h
-$(LIB)(update.o): $(GMXHOME)/src/include/x86cpu.h
-$(LIB)(update.o): $(GMXHOME)/src/include/main.h
-$(LIB)(update.o): $(GMXHOME)/src/include/network.h
-$(LIB)(update.o): $(GMXHOME)/src/include/confio.h
-$(LIB)(update.o): $(GMXHOME)/src/include/update.h
-$(LIB)(update.o): $(GMXHOME)/src/include/mshift.h
-$(LIB)(update.o): $(GMXHOME)/src/include/tgroup.h
-$(LIB)(update.o): $(GMXHOME)/src/include/force.h
-$(LIB)(update.o): $(GMXHOME)/src/include/pbc.h
-$(LIB)(update.o): $(GMXHOME)/src/include/nsb.h
-$(LIB)(update.o): $(GMXHOME)/src/include/pull.h
-$(LIB)(update.o): $(GMXHOME)/src/include/random.h
-$(LIB)(update.o): $(GMXHOME)/src/include/futil.h
-$(LIB)(update.o): $(GMXHOME)/src/include/names.h
-$(LIB)(update.o): $(GMXHOME)/src/include/txtdump.h
-$(LIB)(update.o): $(GMXHOME)/src/include/tpxio.h
-$(LIB)(update.o): $(GMXHOME)/src/include/xdrf.h
-$(LIB)(update.o): $(GMXHOME)/src/include/mdrun.h
-$(LIB)(update.o): $(GMXHOME)/src/include/filenm.h
-$(LIB)(update.o): $(GMXHOME)/src/include/edsam.h
-$(LIB)(update.o): $(GMXHOME)/src/include/mdebin.h
-$(LIB)(update.o): $(GMXHOME)/src/include/ebin.h
-$(LIB)(update.o): $(GMXHOME)/src/include/enxio.h
-$(LIB)(update.o): $(GMXHOME)/src/include/vcm.h
-$(LIB)(update.o): $(GMXHOME)/src/include/copyrite.h
-$(LIB)(update.o): $(GMXHOME)/src/include/constr.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/macros.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/typedefs.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/sysstuff.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/simple.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/enums.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/block.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/symtab.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/idef.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/atoms.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/trx.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/topology.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/energy.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/inputrec.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/nsborder.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/ishift.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/graph.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/fatal.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/nrnb.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/nblist.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/nsgrid.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/commrec.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/forcerec.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/mdatom.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/ifunc.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/filenm.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/group.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/drblock.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/parm.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/matrix.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/edsams.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/types/pulls.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/vcm.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/vec.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/maths.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/x86cpu.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/smalloc.h
-$(LIB)(vcm.o): $(GMXHOME)/src/include/do_fit.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/string2.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/typedefs.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/sysstuff.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/simple.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/enums.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/block.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/symtab.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/idef.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/atoms.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/trx.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/topology.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/energy.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/inputrec.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/nsborder.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/ishift.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/graph.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/fatal.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/nrnb.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/nblist.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/nsgrid.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/commrec.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/forcerec.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/mdatom.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/ifunc.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/filenm.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/group.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/drblock.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/parm.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/matrix.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/edsams.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/types/pulls.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/force.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/pbc.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/nsb.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/network.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/main.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/tgroup.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/smalloc.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/macros.h
-$(LIB)(wnblist.o): $(GMXHOME)/src/include/futil.h
+++ /dev/null
-#!gmake
-#
-# $Id$
-#
-#
-# GROMACS - Groningen Machine for Chemical Simulation
-# Copyright (c) 1990-1994, Groningen University
-#
-# Makefile for mdlib
-#
-ifeq ($(GMXHOME),)
-all:
- echo "No GROMACS environment, Please source your GMXRC file"
-else
-include $(GMXHOME)/src/makef/Makefile.def
-#
-M4 = m4
-M4FILE = $(GMXHOME)/src/gmxlib/$(GMXCPU).m4
-LIB = $(LIBDIR)/libmd.$(GMXCPU).a
-SONAME = libmd.$(GMXCPU).so
-OBJ = \
- calcmu.o calcvir.o callf77.o \
- congrad.o constr.o coupling.o \
- dummies.o ebin.o edsam.o \
- ewald.o fftgrid.o force.o \
- ghat.o init.o md.o \
- mdatom.o mdebin.o nm.o \
- ns.o nsb.o nsgrid.o \
- pme.o poisson.o pppm.o \
- psgather.o pull.o pullinit.o \
- pullio.o pullutil.o \
- pssolve.o psspread.o runner.o \
- shakef.o sim_util.o splittop.o \
- steep.o tables.o tgroup.o \
- update.o vcm.o wnblist.o
-
-ifeq ($(USEF77),yes)
-OBJ += fshake.o fsettle.o flincs.o
-else
-OBJ += cshake.o csettle.o clincs.o
-endif
-
-#
-include $(STDTARGET)
-#
-
-# This is to force rebuild when the Makefile.CPU has changed
-$(LIB)(update.o): $(CPUMAKEF)
-$(LIB)(ns.o): $(CPUMAKEF)
-
-$(LIB)(callf77.o): callf77.m4 $(M4FILE)
- $(M4) $(M4FILE) callf77.m4 > callf77.c
- $(CC) $(C-FLAGS) -c callf77.c
- $(AR) $(ARFLAGS) $(LIB) callf77.o
- $(RM) callf77.c callf77.o
-timefft: timefft.o
- $(LD) $(RUNLDOPT) -o $@ $^ $(RUNSYSLIBS)
-compnl: compnl.o wnblist.o
- $(LD) -o $@ $^ $(RUNSYSLIBS)
-
-$(GMXHOME)/src/makef/Makefile.def:
- echo "Wrong GROMACS environment, Please source GMXRC in this source tree"
-include Make.dep
-endif
-
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+include $(srcdir)/../Makefile.inc
+
+# This is necessary for VPATH to work,
+# but it can probably be done in a nicer way...
+INCLUDES = @INCLUDES@ -I$(top_srcdir)/src/include
+
+lib_LIBRARIES = libmdXXX_SUFFIX_XXX.a
+
+libmdXXX_SUFFIX_XXX_a_SOURCES = \
+ calcmu.c calcvir.c \
+ congrad.c constr.c coupling.c \
+ dummies.c ebin.c edsam.c \
+ ewald.c fftgrid.c force.c \
+ ghat.c init.c md.c \
+ mdatom.c mdebin.c nm.c \
+ ns.c nsb.c nsgrid.c \
+ pme.c poisson.c pppm.c \
+ psgather.c pull.c pullinit.c \
+ pullio.c pullutil.c pssolve.c \
+ psspread.c runner.c shakef.c \
+ sim_util.c splittop.c steep.c \
+ tables.c tgroup.c update.c \
+ vcm.c wnblist.c poisson.h \
+ splittop.h wnblist.h
+
+EXTRA_libmdXXX_SUFFIX_XXX_a_SOURCES = \
+ cshake.c csettle.c clincs.c \
+ fshake.f fsettle.f flincs.f \
+ fshaked.f fsettled.f flincsd.f
+
+if USE_DOUBLE
+ inner_f77_obj = fshaked.o fsettled.o flincsd.o
+else
+ inner_f77_obj = fshake.o fsettle.o flincs.o
+endif
+
+inner_c_obj = cshake.o csettle.o clincs.o
+
+
+libmdXXX_SUFFIX_XXX_a_LIBADD = @INNER_F77_OBJ@ @INNER_C_OBJ@
+libmdXXX_SUFFIX_XXX_a_DEPENDENCIES = @INNER_F77_OBJ@ @INNER_C_OBJ@
+
+# clean things explicitly, since the target names might have changed
+CLEANFILES = ${lib_LIBRARIES} *_d.a *_mpi.a *~ \\\#*
+
+
+
--- /dev/null
+#include "typedefs.h"
+#include "callf77.h"
+#include "fatal.h"
+
+/* This file provides the interface to fortran routines in a machine
+ * independent way.
+ */
+
+/* Fortran versions of shake and settle */
+
+#ifdef USE_FORTRAN
+extern void F77_FUNC(forsettle,FORSETTLE)(int *nshake,int owptr[],real
+ b4[],real after[],real
+ *dOH,real *dHH,real *mO,real
+ *mH,int *error);
+extern void F77_FUNC(forshake,FORSHAKE)(atom_id iatom[],int *ncon,
+ int *nit, int *maxnit,
+ real dist2[],real xp[],
+ real rij[],real m2[],
+ real invmass[],real tt[],
+ real lambda[],int *error);
+extern void F77_FUNC(forlincs,FORLINCS)(real *x,real *xp,int *nc,
+ int *bla1,int *bla2,int *blnr,
+ int *blbnb,real *bllen,
+ real *blc,real *blcc,real *blm,
+ int *nit,int *nrec,real *invmass,
+ real *r,real *temp1,real *temp2,
+ real *temp3,real *wangle,
+ int *warn,real *lambda);
+#endif
+
+void fsettle(int *nshake,int owptr[],real b4[],real after[],real *dOH,real *dHH,real *mO,real *mH,int *error)
+{
+#ifdef USE_FORTRAN
+ F77_FUNC(forsettle,FORSETTLE) (nshake,owptr,b4,after,dOH,dHH,mO,mH,error);
+#else
+ fatal_error(0,"fsettle called (Fortran routine from %s %d)",__FILE__,__LINE__);
+#endif
+}
+
+void fshake(atom_id iatom[],int *ncon,int *nit,int *maxnit,real dist2[],real xp[],real rij[],real m2[],real invmass[],real tt[],real lambda[],int *error)
+{
+#ifdef USE_FORTRAN
+ F77_FUNC(forshake,FORSHAKE)(iatom,ncon,nit,maxnit,dist2,xp,rij,m2,invmass,tt,lambda,error);
+#else
+ fatal_error(0,"fshake called (Fortran routine from %s %d)",__FILE__,__LINE__);
+#endif
+}
+
+/* LINCS */
+
+void flincs(real *x,real *xp,int *nc,int *bla1,int *bla2,int *blnr,int *blbnb,real *bllen,real *blc,real *blcc,real *blm,int *nit,int *nrec,real *invmass,real *r,real *temp1,real *temp2,real *temp3,real *wangle,int *warn,real *lambda)
+{
+#ifdef USE_FORTRAN
+ F77_FUNC(forlincs,FORLINCS)(x,xp,nc,bla1,bla2,blnr,blbnb,bllen,blc,blcc,
+ blm,nit,nrec,invmass,r,temp1,temp2,temp3,wangle,warn,lambda);
+#else
+ fatal_error(0,"flincs called (Fortran routine from %s %d)",__FILE__,__LINE__);
+#endif
+}
+++ /dev/null
-#include "typedefs.h"
-#include "callf77.h"
-#include "fatal.h"
-
-/* This file provides the interface to fortran routines in a machine
- * independent way.
- */
-
-/* Fortran versions of shake and settle */
-define(`fsettle_args',`(int *nshake,int owptr[],real b4[],real after[],real *dOH,real *dHH,real *mO,real *mH,int *error)')
-
-extern void FUNCTION(forsettle) fsettle_args;
-void fsettle fsettle_args
-{
-#ifdef USEF77
- FUNCTION(forsettle) (nshake,owptr,b4,after,dOH,dHH,mO,mH,error);
-#else
- fatal_error(0,"fsettle called (Fortran routine from %s %d)",__FILE__,__LINE__);
-#endif
-}
-
-define(`fshake_args',`(atom_id iatom[],int *ncon,int *nit,int *maxnit,real dist2[],real xp[],real rij[],real m2[],real invmass[],real tt[],real lambda[],int *error)')
-
-extern void FUNCTION(forshake) fshake_args;
-
-void fshake fshake_args
-{
-#ifdef USEF77
- FUNCTION(forshake)(iatom,ncon,nit,maxnit,dist2,xp,rij,m2,invmass,tt,lambda,error);
-#else
- fatal_error(0,"fshake called (Fortran routine from %s %d)",__FILE__,__LINE__);
-#endif
-}
-
-/* LINCS */
-
-define(`flincsp_args',`(real *x,real *f,real *fp,int *nc,int *bla1,int *bla2,int *blnr,int *blbnb,real *blc,real *blcc,real *blm,int *nrec,real *invmass,real *r,real *temp1,real *temp2,real *temp3)')
-
-extern void FUNCTION(forlincsp) flincsp_args;
-
-void flincsp flincsp_args
-{
-#ifdef USEF77
- FUNCTION(forlincsp)(x,f,fp,nc,bla1,bla2,blnr,blbnb,blc,blcc,
- blm,nrec,invmass,r,temp1,temp2,temp3);
-#else
- fatal_error(0,"flincsp called (Fortran routine from %s %d)",__FILE__,__LINE__);
-#endif
-}
-
-define(`flincs_args',`(real *x,real *xp,int *nc,int *bla1,int *bla2,int *blnr,int *blbnb,real *bllen,real *blc,real *blcc,real *blm,int *nit,int *nrec,real *invmass,real *r,real *temp1,real *temp2,real *temp3,real *wangle,int *warn,real *lambda)')
-
-extern void FUNCTION(forlincs) flincs_args;
-
-void flincs flincs_args
-{
-#ifdef USEF77
- FUNCTION(forlincs)(x,xp,nc,bla1,bla2,blnr,blbnb,bllen,blc,blcc,
- blm,nit,nrec,invmass,r,temp1,temp2,temp3,wangle,warn,lambda);
-#else
- fatal_error(0,"flincs called (Fortran routine from %s %d)",__FILE__,__LINE__);
-#endif
-}
nit = 1;
if (bCoordinates) {
-#ifdef USEF77
- flincs(x[0],xprime[0],&nc,bla1,bla2,blnr,blbnb,
- bllen,blc,blcc,blm,&nit,&ir->nProjOrder,
- md->invmass,r[0],tmp1,tmp2,tmp3,&wang,&warn,
- lincslam);
+#ifdef USE_FORTRAN
+ F77_FUNC(flincs,FLINCS)(x[0],xprime[0],&nc,bla1,bla2,blnr,blbnb,
+ bllen,blc,blcc,blm,&nit,&ir->nProjOrder,
+ md->invmass,r[0],tmp1,tmp2,tmp3,&wang,&warn,
+ lincslam);
#else
clincs(x,xprime,nc,bla1,bla2,blnr,blbnb,
bllen,blc,blcc,blm,nit,ir->nProjOrder,
md->invmass,r,tmp1,tmp2,tmp3,wang,&warn,lincslam);
#endif
} else {
-#ifdef USEF77
- flincsp(x[0],xprime[0],min_proj[0],&nc,bla1,bla2,blnr,blbnb,
- blc,blcc,blm,&ir->nProjOrder,
- md->invmass,r[0],tmp1,tmp2,tmp3);
+#ifdef USE_FORTRAN
+ F77_FUNC(flincsp,FLINCSP)(x[0],xprime[0],min_proj[0],&nc,bla1,bla2,blnr,blbnb,
+ blc,blcc,blm,&ir->nProjOrder,
+ md->invmass,r[0],tmp1,tmp2,tmp3);
#else
clincsp(x,xprime,min_proj,nc,bla1,bla2,blnr,blbnb,
blc,blcc,blm,ir->nProjOrder,
mH = md->massA[ow1+1];
dOH = top->idef.iparams[settle_type].settle.doh;
dHH = top->idef.iparams[settle_type].settle.dhh;
-#ifdef USEF77
- fsettle(&nsettle,owptr,x[0],xprime[0],&dOH,&dHH,&mO,&mH,&error);
+#ifdef USE_FORTRAN
+ F77_FUNC(fsettle,FSETTLE)(&nsettle,owptr,x[0],xprime[0],
+ &dOH,&dHH,&mO,&mH,&error);
#else
csettle(stdlog,nsettle,owptr,x[0],xprime[0],dOH,dHH,mO,mH,&error);
#endif
- subroutine forlincsp(x,f,fp,ncons,
+c IMPORTANT!
+c Note that this file comes in two flavours -
+c fshake.f for single precision and fshaked.f
+c for double precision. The only difference is
+c the size of the real variables.
+c This is an unfortunate, but necessary setup
+c since not all f77 compilers (e.g. g77) have
+c switches to change the real size, and neither
+c do all f77 compilers support preprocessing.
+c Thus, if you edit one of the files, make sure
+c to change to other similarly!
+
+ subroutine flincsp(x,f,fp,ncons,
$ bla1,bla2,blnr,blbnb,blc,blcc,blm,
$ nrec,invmass,r,rhs1,rhs2,sol)
implicit none
- real x(*),f(*),fp(*),blc(*),blcc(*),blm(*),invmass(*)
- real r(*),rhs1(*),rhs2(*),sol(*)
+ real*4 x(*),f(*),fp(*),blc(*),blcc(*),blm(*),invmass(*)
+ real*4 r(*),rhs1(*),rhs2(*),sol(*)
integer*4 ncons,nrec,bla1(*),bla2(*),blnr(*),blbnb(*)
integer*4 b,i,j,k,n,b3,i3,j3,it,rec
- real tmp0,tmp1,tmp2,im1,im2,mvb,rlen
- real u0,u1,u2,v0,v1,v2
+ real*4 tmp0,tmp1,tmp2,im1,im2,mvb,rlen
+ real*4 u0,u1,u2,v0,v1,v2
do b=1,ncons
end
- subroutine forlincs(x,xp,ncons,
+ subroutine flincs(x,xp,ncons,
$ bla1,bla2,blnr,blbnb,bllen,blc,blcc,blm,
$ nit,nrec,invmass,r,rhs1,rhs2,sol,wangle,warn,
$ lambda)
implicit none
- real x(*),xp(*),bllen(*),blc(*),blcc(*),blm(*),invmass(*)
- real r(*),rhs1(*),rhs2(*),sol(*),wangle,lambda(*)
+ real*4 x(*),xp(*),bllen(*),blc(*),blcc(*),blm(*),invmass(*)
+ real*4 r(*),rhs1(*),rhs2(*),sol(*),wangle,lambda(*)
+ real*4 tmp0,tmp1,tmp2,im1,im2,mvb,rlen,len,wfac,lam
+ real*4 u0,u1,u2,v0,v1,v2
+
integer*4 ncons,nit,nrec,bla1(*),bla2(*),blnr(*),blbnb(*)
integer*4 warn
-
integer*4 b,i,j,k,n,b3,i3,j3,it,rec
- real tmp0,tmp1,tmp2,im1,im2,mvb,rlen,len,wfac,lam
- real u0,u1,u2,v0,v1,v2
warn=0
--- /dev/null
+c IMPORTANT!
+c Note that this file comes in two flavours -
+c fshake.f for single precision and fshaked.f
+c for double precision. The only difference is
+c the size of the real variables.
+c This is an unfortunate, but necessary setup
+c since not all f77 compilers (e.g. g77) have
+c switches to change the real size, and neither
+c do all f77 compilers support preprocessing.
+c Thus, if you edit one of the files, make sure
+c to change to other similarly!
+
+ subroutine flincsp(x,f,fp,ncons,
+ $ bla1,bla2,blnr,blbnb,blc,blcc,blm,
+ $ nrec,invmass,r,rhs1,rhs2,sol)
+
+ implicit none
+
+ real*8 x(*),f(*),fp(*),blc(*),blcc(*),blm(*),invmass(*)
+ real*8 r(*),rhs1(*),rhs2(*),sol(*)
+ integer*4 ncons,nrec,bla1(*),bla2(*),blnr(*),blbnb(*)
+
+ integer*4 b,i,j,k,n,b3,i3,j3,it,rec
+ real*8 tmp0,tmp1,tmp2,im1,im2,mvb,rlen
+ real*8 u0,u1,u2,v0,v1,v2
+
+
+ do b=1,ncons
+ b3=3*(b-1)
+ i=3*bla1(b)
+ j=3*bla2(b)
+ tmp0=x(i+1)-x(j+1)
+ tmp1=x(i+2)-x(j+2)
+ tmp2=x(i+3)-x(j+3)
+ rlen=1.0/sqrt(tmp0*tmp0+tmp1*tmp1+tmp2*tmp2)
+ r(b3+1)=rlen*tmp0
+ r(b3+2)=rlen*tmp1
+ r(b3+3)=rlen*tmp2
+ enddo
+
+ do b=1,ncons
+ b3=3*(b-1)
+ tmp0=r(b3+1)
+ tmp1=r(b3+2)
+ tmp2=r(b3+3)
+ i=3*bla1(b)
+ j=3*bla2(b)
+ do n=blnr(b)+1,blnr(b+1)
+ k=3*blbnb(n)
+ blm(n)=blcc(n)*(tmp0*r(k+1)+tmp1*r(k+2)+tmp2*r(k+3))
+ enddo
+ mvb=blc(b)*(tmp0*(f(i+1)-f(j+1))+
+ $ tmp1*(f(i+2)-f(j+2))+
+ $ tmp2*(f(i+3)-f(j+3)))
+ rhs1(b)=mvb
+ sol(b)=mvb
+ enddo
+
+
+ do rec=1,nrec,2
+ do b=1,ncons
+ mvb=0.
+ do n=blnr(b)+1,blnr(b+1)
+ j=blbnb(n)+1
+ mvb=mvb+blm(n)*rhs1(j)
+ enddo
+ rhs2(b)=mvb
+ sol(b)=sol(b)+mvb
+ enddo
+ if (rec .lt. nrec) then
+ do b=1,ncons
+ mvb=0.
+ do n=blnr(b)+1,blnr(b+1)
+ j=blbnb(n)+1
+ mvb=mvb+blm(n)*rhs2(j)
+ enddo
+ rhs1(b)=mvb
+ sol(b)=sol(b)+mvb
+ enddo
+ endif
+ enddo
+
+
+ do b=1,ncons
+ b3=3*(b-1)
+ i=bla1(b)
+ j=bla2(b)
+ i3=3*i
+ j3=3*j
+ mvb=blc(b)*sol(b)
+ im1=invmass(i+1)
+ im2=invmass(j+1)
+ tmp0=r(b3+1)*mvb
+ tmp1=r(b3+2)*mvb
+ tmp2=r(b3+3)*mvb
+ u0=fp(i3+1)-tmp0*im1
+ u1=fp(i3+2)-tmp1*im1
+ u2=fp(i3+3)-tmp2*im1
+ v0=fp(j3+1)+tmp0*im2
+ v1=fp(j3+2)+tmp1*im2
+ v2=fp(j3+3)+tmp2*im2
+ fp(i3+1)=u0
+ fp(i3+2)=u1
+ fp(i3+3)=u2
+ fp(j3+1)=v0
+ fp(j3+2)=v1
+ fp(j3+3)=v2
+ enddo
+
+ end
+
+
+ subroutine flincs(x,xp,ncons,
+ $ bla1,bla2,blnr,blbnb,bllen,blc,blcc,blm,
+ $ nit,nrec,invmass,r,rhs1,rhs2,sol,wangle,warn,
+ $ lambda)
+
+ implicit none
+
+ real*4 x(*),xp(*),bllen(*),blc(*),blcc(*),blm(*),invmass(*)
+ real*4 r(*),rhs1(*),rhs2(*),sol(*),wangle,lambda(*)
+ real*4 tmp0,tmp1,tmp2,im1,im2,mvb,rlen,len,wfac,lam
+ real*4 u0,u1,u2,v0,v1,v2
+
+ integer*4 ncons,nit,nrec,bla1(*),bla2(*),blnr(*),blbnb(*)
+ integer*4 warn
+ integer*4 b,i,j,k,n,b3,i3,j3,it,rec
+
+
+ warn=0
+
+ do b=1,ncons
+ b3=3*(b-1)
+ i=3*bla1(b)
+ j=3*bla2(b)
+ tmp0=x(i+1)-x(j+1)
+ tmp1=x(i+2)-x(j+2)
+ tmp2=x(i+3)-x(j+3)
+ rlen=1.0/sqrt(tmp0*tmp0+tmp1*tmp1+tmp2*tmp2)
+ r(b3+1)=rlen*tmp0
+ r(b3+2)=rlen*tmp1
+ r(b3+3)=rlen*tmp2
+ enddo
+
+ do b=1,ncons
+ b3=3*(b-1)
+ tmp0=r(b3+1)
+ tmp1=r(b3+2)
+ tmp2=r(b3+3)
+ len=bllen(b)
+ i=3*bla1(b)
+ j=3*bla2(b)
+ do n=blnr(b)+1,blnr(b+1)
+ k=3*blbnb(n)
+ blm(n)=blcc(n)*(tmp0*r(k+1)+tmp1*r(k+2)+tmp2*r(k+3))
+ enddo
+ mvb=blc(b)*(tmp0*(xp(i+1)-xp(j+1))+
+ $ tmp1*(xp(i+2)-xp(j+2))+
+ $ tmp2*(xp(i+3)-xp(j+3))-len)
+ rhs1(b)=mvb
+ sol(b)=mvb
+ enddo
+
+
+ do rec=1,nrec,2
+ do b=1,ncons
+ mvb=0.
+ do n=blnr(b)+1,blnr(b+1)
+ j=blbnb(n)+1
+ mvb=mvb+blm(n)*rhs1(j)
+ enddo
+ rhs2(b)=mvb
+ sol(b)=sol(b)+mvb
+ enddo
+ if (rec .lt. nrec) then
+ do b=1,ncons
+ mvb=0.
+ do n=blnr(b)+1,blnr(b+1)
+ j=blbnb(n)+1
+ mvb=mvb+blm(n)*rhs2(j)
+ enddo
+ rhs1(b)=mvb
+ sol(b)=sol(b)+mvb
+ enddo
+ endif
+ enddo
+
+
+ do b=1,ncons
+ b3=3*(b-1)
+ i=bla1(b)
+ j=bla2(b)
+ i3=3*i
+ j3=3*j
+ mvb=blc(b)*sol(b)
+ lambda(b)=-mvb
+ im1=invmass(i+1)
+ im2=invmass(j+1)
+ tmp0=r(b3+1)*mvb
+ tmp1=r(b3+2)*mvb
+ tmp2=r(b3+3)*mvb
+ u0=xp(i3+1)-tmp0*im1
+ u1=xp(i3+2)-tmp1*im1
+ u2=xp(i3+3)-tmp2*im1
+ v0=xp(j3+1)+tmp0*im2
+ v1=xp(j3+2)+tmp1*im2
+ v2=xp(j3+3)+tmp2*im2
+ xp(i3+1)=u0
+ xp(i3+2)=u1
+ xp(i3+3)=u2
+ xp(j3+1)=v0
+ xp(j3+2)=v1
+ xp(j3+3)=v2
+ enddo
+
+
+
+c ******** Correction for centripetal effects ********
+
+ wfac=cos(0.01745*wangle)
+ wfac=wfac*wfac
+
+ do it=1,nit
+
+ do b=1,ncons
+ len=bllen(b)
+ i=3*bla1(b)
+ j=3*bla2(b)
+ tmp0=xp(i+1)-xp(j+1)
+ tmp1=xp(i+2)-xp(j+2)
+ tmp2=xp(i+3)-xp(j+3)
+ u1=len*len
+ u0=2.*u1-(tmp0*tmp0+tmp1*tmp1+tmp2*tmp2)
+ if (u0 .lt. wfac*u1) warn=b
+ if (u0 .lt. 0.) u0=0.
+ mvb=blc(b)*(len-sqrt(u0))
+ rhs1(b)=mvb
+ sol(b)=mvb
+ enddo
+
+
+ do rec=1,nrec,2
+ do b=1,ncons
+ mvb=0.
+ do n=blnr(b)+1,blnr(b+1)
+ j=blbnb(n)+1
+ mvb=mvb+blm(n)*rhs1(j)
+ enddo
+ rhs2(b)=mvb
+ sol(b)=sol(b)+mvb
+ enddo
+ if (rec .lt. nrec) then
+ do b=1,ncons
+ mvb=0.
+ do n=blnr(b)+1,blnr(b+1)
+ j=blbnb(n)+1
+ mvb=mvb+blm(n)*rhs2(j)
+ enddo
+ rhs1(b)=mvb
+ sol(b)=sol(b)+mvb
+ enddo
+ endif
+ enddo
+
+
+ do b=1,ncons
+ b3=3*(b-1)
+ i=bla1(b)
+ j=bla2(b)
+ i3=3*i
+ j3=3*j
+ lam=lambda(b)
+ mvb=blc(b)*sol(b)
+ lambda(b)=lam-mvb
+ im1=invmass(i+1)
+ im2=invmass(j+1)
+ tmp0=r(b3+1)*mvb
+ tmp1=r(b3+2)*mvb
+ tmp2=r(b3+3)*mvb
+ u0=xp(i3+1)-tmp0*im1
+ u1=xp(i3+2)-tmp1*im1
+ u2=xp(i3+3)-tmp2*im1
+ v0=xp(j3+1)+tmp0*im2
+ v1=xp(j3+2)+tmp1*im2
+ v2=xp(j3+3)+tmp2*im2
+ xp(i3+1)=u0
+ xp(i3+2)=u1
+ xp(i3+3)=u2
+ xp(j3+1)=v0
+ xp(j3+2)=v1
+ xp(j3+3)=v2
+ enddo
+
+ enddo
+
+ return
+
+ end
- subroutine FORSETTLE(nshake,owptr,b4,after,
+c IMPORTANT!
+c Note that this file comes in two flavours -
+c fshake.f for single precision and fshaked.f
+c for double precision. The only difference is
+c the size of the real variables.
+c This is an unfortunate, but necessary setup
+c since not all f77 compilers (e.g. g77) have
+c switches to change the real size, and neither
+c do all f77 compilers support preprocessing.
+c Thus, if you edit one of the files, make sure
+c to change to other similarly!
+
+ subroutine fsettle(nshake,owptr,b4,after,
& dOH,dHH,mO,mH,error)
implicit none
c*****************************************************************
c **
c*****************************************************************
integer nshake,owptr(*),error
- real b4(*),after(*),mO,mH,dOH,dHH
-
- integer i,ow1,hw2,hw3
- real wo,wh,wohh,ra,rb,rc,rc2,tmp,tmp2
- real gama, beta, alpa, xcom, ycom, zcom, al2be2
- real axlng, aylng, azlng, trns11, trns21, trns31, trns12,
+ real*4 b4(*),after(*),mO,mH
+ $ ,dOH,dHH
+ real*4 wo,wh,wohh,ra,rb,rc,rc2,tmp,tmp2
+ real*4 gama, beta, alpa, xcom, ycom, zcom, al2be2
+ real*4 axlng, aylng, azlng, trns11, trns21, trns31, trns12,
& trns22, trns32, trns13, trns23, trns33, cosphi,
& costhe, sinphi, sinthe, cospsi, xaksxd, yaksxd,
& xakszd, yakszd, zakszd, zaksxd, xaksyd,
& xb0, yb0, zb0, xc0, yc0, zc0, xa1
- real ya1, za1, xb1, yb1
- real zb1, xc1, yc1, zc1, yaksyd, zaksyd, sinpsi,
+ real*4 ya1, za1, xb1, yb1
+ real*4 zb1, xc1, yc1, zc1, yaksyd, zaksyd, sinpsi,
& xa3, ya3, za3, xb3, yb3, zb3, xc3, yc3, zc3,
& xb0d, yb0d, xc0d, yc0d, xa1d, ya1d,
& za1d, xb1d, yb1d, zb1d, xc1d, yc1d, zc1d, ya2d,
& xb2d, yb2d, yc2d,
& xa3d, ya3d, za3d, xb3d, yb3d, zb3d, xc3d, yc3d, zc3d
+
+ integer i,ow1,hw2,hw3
error= -1
wo = mO
--- /dev/null
+c IMPORTANT!
+c Note that this file comes in two flavours -
+c fshake.f for single precision and fshaked.f
+c for double precision. The only difference is
+c the size of the real variables.
+c This is an unfortunate, but necessary setup
+c since not all f77 compilers (e.g. g77) have
+c switches to change the real size, and neither
+c do all f77 compilers support preprocessing.
+c Thus, if you edit one of the files, make sure
+c to change to other similarly!
+
+ subroutine fsettle(nshake,owptr,b4,after,
+ & dOH,dHH,mO,mH,error)
+ implicit none
+c*****************************************************************
+c **
+c Subroutine : setlep - reset positions of TIP3P waters **
+c Author : Shuichi Miyamoto **
+c Date of last update : Oct. 1, 1992 **
+c **
+c Reference for the SETTLE algorithm **
+c S. Miyamoto et al., J. Comp. Chem., 13, 952 (1992). **
+c **
+c*****************************************************************
+ integer nshake,owptr(*),error
+
+ real*8 b4(*),after(*),mO,mH,dOH,dHH
+ real*8 wo,wh,wohh,ra,rb,rc,rc2,tmp,tmp2
+ real*8 gama, beta, alpa, xcom, ycom, zcom, al2be2
+ real*8 axlng, aylng, azlng, trns11, trns21, trns31, trns12,
+ & trns22, trns32, trns13, trns23, trns33, cosphi,
+ & costhe, sinphi, sinthe, cospsi, xaksxd, yaksxd,
+ & xakszd, yakszd, zakszd, zaksxd, xaksyd,
+ & xb0, yb0, zb0, xc0, yc0, zc0, xa1
+ real*8 ya1, za1, xb1, yb1
+ real*8 zb1, xc1, yc1, zc1, yaksyd, zaksyd, sinpsi,
+ & xa3, ya3, za3, xb3, yb3, zb3, xc3, yc3, zc3,
+ & xb0d, yb0d, xc0d, yc0d, xa1d, ya1d,
+ & za1d, xb1d, yb1d, zb1d, xc1d, yc1d, zc1d, ya2d,
+ & xb2d, yb2d, yc2d,
+ & xa3d, ya3d, za3d, xb3d, yb3d, zb3d, xc3d, yc3d, zc3d
+ integer i,ow1,hw2,hw3
+
+ error= -1
+ wo = mO
+ wh = mH
+ wohh = mO+2.0*mH
+ rc = dHH/2.0
+ ra = 2.0*wh*sqrt(dOH*dOH-rc*rc)/wohh
+ rb = sqrt(dOH*dOH-rc*rc)-ra
+ rc2 = dHH
+ wo = wo/wohh
+ wh = wh/wohh
+c
+cray compiler directive ignore vector dependencies
+c$dir ivdep
+ do i=1,nshake
+c --- Step1 A1' ---
+c
+ ow1 = 3*owptr(i)+1
+ hw2 = ow1+3
+ hw3 = ow1+6
+ xb0 = b4(hw2) - b4(ow1)
+ yb0 = b4(hw2+1) - b4(ow1+1)
+ zb0 = b4(hw2+2) - b4(ow1+2)
+ xc0 = b4(hw3) - b4(ow1)
+ yc0 = b4(hw3+1) - b4(ow1+1)
+ zc0 = b4(hw3+2) - b4(ow1+2)
+c
+ xcom = ( after(ow1 )*wo +
+ & (after(hw2 ) + after(hw3 )) * wh )
+ ycom = ( after(ow1+1)*wo +
+ & (after(hw2+1) + after(hw3+1)) * wh )
+ zcom = ( after(ow1+2)*wo +
+ & (after(hw2+2) + after(hw3+2)) * wh )
+c
+ xa1 = after(ow1 ) - xcom
+ ya1 = after(ow1+1) - ycom
+ za1 = after(ow1+2) - zcom
+ xb1 = after(hw2 ) - xcom
+ yb1 = after(hw2+1) - ycom
+ zb1 = after(hw2+2) - zcom
+ xc1 = after(hw3 ) - xcom
+ yc1 = after(hw3+1) - ycom
+ zc1 = after(hw3+2) - zcom
+c
+ xaksZd = yb0*zc0 - zb0*yc0
+ yaksZd = zb0*xc0 - xb0*zc0
+ zaksZd = xb0*yc0 - yb0*xc0
+ xaksXd = ya1*zaksZd - za1*yaksZd
+ yaksXd = za1*xaksZd - xa1*zaksZd
+ zaksXd = xa1*yaksZd - ya1*xaksZd
+ xaksYd = yaksZd*zaksXd - zaksZd*yaksXd
+ yaksYd = zaksZd*xaksXd - xaksZd*zaksXd
+ zaksYd = xaksZd*yaksXd - yaksZd*xaksXd
+c
+ axlng = 1.0/sqrt ( xaksXd * xaksXd + yaksXd * yaksXd
+ & + zaksXd * zaksXd )
+ aylng = 1.0/sqrt ( xaksYd * xaksYd + yaksYd * yaksYd
+ & + zaksYd * zaksYd )
+ azlng = 1.0/sqrt ( xaksZd * xaksZd + yaksZd * yaksZd
+ & + zaksZd * zaksZd )
+ trns11 = xaksXd * axlng
+ trns21 = yaksXd * axlng
+ trns31 = zaksXd * axlng
+ trns12 = xaksYd * aylng
+ trns22 = yaksYd * aylng
+ trns32 = zaksYd * aylng
+ trns13 = xaksZd * azlng
+ trns23 = yaksZd * azlng
+ trns33 = zaksZd * azlng
+c
+ xb0d = trns11*xb0 + trns21*yb0 + trns31*zb0
+ yb0d = trns12*xb0 + trns22*yb0 + trns32*zb0
+ xc0d = trns11*xc0 + trns21*yc0 + trns31*zc0
+ yc0d = trns12*xc0 + trns22*yc0 + trns32*zc0
+ xa1d = trns11*xa1 + trns21*ya1 + trns31*za1
+ ya1d = trns12*xa1 + trns22*ya1 + trns32*za1
+ za1d = trns13*xa1 + trns23*ya1 + trns33*za1
+ xb1d = trns11*xb1 + trns21*yb1 + trns31*zb1
+ yb1d = trns12*xb1 + trns22*yb1 + trns32*zb1
+ zb1d = trns13*xb1 + trns23*yb1 + trns33*zb1
+ xc1d = trns11*xc1 + trns21*yc1 + trns31*zc1
+ yc1d = trns12*xc1 + trns22*yc1 + trns32*zc1
+ zc1d = trns13*xc1 + trns23*yc1 + trns33*zc1
+c
+ sinphi = za1d / ra
+ tmp = 1.0 - sinphi*sinphi
+ if ( tmp .le. 0.0) then
+ error = i-1
+ cosphi = 0
+ else
+ cosphi = sqrt (tmp)
+ endif
+ sinpsi = ( zb1d - zc1d ) / (rc2 * cosphi)
+ tmp2 = 1.0 - sinpsi*sinpsi
+ if ( tmp2 .le. 0.0 ) then
+ error = i-1
+ cospsi = 0
+ else
+ cospsi = sqrt (tmp2)
+ endif
+c
+ ya2d = ra * cosphi
+ xb2d = - rc * cospsi
+c xc2d = rc * cospsi
+ yb2d = - rb * cosphi - rc *sinpsi * sinphi
+ yc2d = - rb * cosphi + rc *sinpsi * sinphi
+c xb2d2 = xb2d * xb2d
+c hh2 = 4.d0 * xb2d2 + (yb2d-yc2d) * (yb2d-yc2d)
+c & + (zb1d-zc1d) * (zb1d-zc1d)
+c deltx = 2.d0 * xb2d + sqrt ( 4.d0 * xb2d2 - hh2 + hhhh )
+c xb2d = xb2d - deltx * 0.5d0
+c xc2d = xc2d + deltx * 0.5d0
+c
+c --- Step3 al,be,ga ---
+c
+ alpa = ( xb2d * (xb0d-xc0d) + yb0d * yb2d + yc0d * yc2d )
+ beta = ( xb2d * (yc0d-yb0d) + xb0d * yb2d + xc0d * yc2d )
+ gama = xb0d * yb1d - xb1d * yb0d + xc0d * yc1d - xc1d * yc0d
+c
+ al2be2 = alpa * alpa + beta * beta
+ sinthe = ( alpa*gama - beta * sqrt ( al2be2 - gama * gama ) )
+ & / al2be2
+c
+c --- Step4 A3' ---
+c
+ costhe = sqrt (1.d0 - sinthe * sinthe )
+ xa3d = - ya2d * sinthe
+ ya3d = ya2d * costhe
+ za3d = za1d
+ xb3d = xb2d * costhe - yb2d * sinthe
+ yb3d = xb2d * sinthe + yb2d * costhe
+ zb3d = zb1d
+ xc3d = - xb2d * costhe - yc2d * sinthe
+ yc3d = - xb2d * sinthe + yc2d * costhe
+ zc3d = zc1d
+c --- Step5 A3 ---
+c
+c
+ xa3 = trns11*xa3d + trns12*ya3d + trns13*za3d
+ ya3 = trns21*xa3d + trns22*ya3d + trns23*za3d
+ za3 = trns31*xa3d + trns32*ya3d + trns33*za3d
+ xb3 = trns11*xb3d + trns12*yb3d + trns13*zb3d
+ yb3 = trns21*xb3d + trns22*yb3d + trns23*zb3d
+ zb3 = trns31*xb3d + trns32*yb3d + trns33*zb3d
+ xc3 = trns11*xc3d + trns12*yc3d + trns13*zc3d
+ yc3 = trns21*xc3d + trns22*yc3d + trns23*zc3d
+ zc3 = trns31*xc3d + trns32*yc3d + trns33*zc3d
+c
+ after(ow1 ) = xcom + xa3
+ after(ow1+1) = ycom + ya3
+ after(ow1+2) = zcom + za3
+ after(hw2 ) = xcom + xb3
+ after(hw2+1) = ycom + yb3
+ after(hw2+2) = zcom + zb3
+ after(hw3 ) = xcom + xc3
+ after(hw3+1) = ycom + yc3
+ after(hw3+2) = zcom + zc3
+c
+ end do
+ return
+ end
+
- subroutine FORSHAKE(iatom,ncon,nit,maxnit,
+c IMPORTANT!
+c Note that this file comes in two flavours -
+c fshake.f for single precision and fshaked.f
+c for double precision. The only difference is
+c the size of the real variables.
+c This is an unfortunate, but necessary setup
+c since not all f77 compilers (e.g. g77) have
+c switches to change the real size, and neither
+c do all f77 compilers support preprocessing.
+c Thus, if you edit one of the files, make sure
+c to change to other similarly!
+
+ subroutine fshake(iatom,ncon,nit,maxnit,
$ dist2,xp,rij,m2,invmass,tt,lagr,error)
implicit none
integer*4 iatom(*)
integer*4 ncon,nit,maxnit
integer*4 error
- real dist2(*),xp(*),rij(*),m2(*),invmass(*),tt(*),lagr(*)
+ real*4 dist2(*),xp(*),rij(*),m2(*),invmass(*),tt(*),lagr(*)
integer*4 ll,i,j,i3,j3,l3,nconv,iconv
integer*4 ix,iy,iz,jx,jy,jz
- real toler,rpij2,rrpr,tx,ty,tz,diff,acor,im,jm
- real xh,yh,zh,rijx,rijy,rijz
- real tix,tiy,tiz
- real tjx,tjy,tjz
- real mytol
+ real*4 toler,rpij2,rrpr,tx,ty,tz,diff,acor,im,jm
+ real*4 xh,yh,zh,rijx,rijy,rijz
+ real*4 tix,tiy,tiz
+ real*4 tjx,tjy,tjz
+ real*4 mytol
parameter(mytol=1e-6)
--- /dev/null
+c IMPORTANT!
+c Note that this file comes in two flavours -
+c fshake.f for single precision and fshaked.f
+c for double precision. The only difference is
+c the size of the real variables.
+c This is an unfortunate, but necessary setup
+c since not all f77 compilers (e.g. g77) have
+c switches to change the real size, and neither
+c do all f77 compilers support preprocessing.
+c Thus, if you edit one of the files, make sure
+c to change to other similarly!
+
+ subroutine fshake(iatom,ncon,nit,maxnit,
+ $ dist2,xp,rij,m2,invmass,tt,lagr,error)
+
+ implicit none
+
+ integer*4 iatom(*)
+ integer*4 ncon,nit,maxnit
+ integer*4 error
+ real*8 dist2(*),xp(*),rij(*),m2(*),invmass(*),tt(*),lagr(*)
+
+ integer*4 ll,i,j,i3,j3,l3,nconv,iconv
+ integer*4 ix,iy,iz,jx,jy,jz
+ real*8 toler,rpij2,rrpr,tx,ty,tz,diff,acor,im,jm
+ real*8 xh,yh,zh,rijx,rijy,rijz
+ real*8 tix,tiy,tiz
+ real*8 tjx,tjy,tjz
+ real*8 mytol
+
+ parameter(mytol=1e-6)
+
+ error=0
+ do nit=1,maxnit
+ nconv=0
+ do ll=1,ncon
+ l3 = 3*(ll-1)
+ rijx = rij(l3+1)
+ rijy = rij(l3+2)
+ rijz = rij(l3+3)
+ i = iatom(l3+2)
+ j = iatom(l3+3)
+ i3 = 3*i
+ j3 = 3*j
+ ix = i3+1
+ iy = i3+2
+ iz = i3+3
+ jx = j3+1
+ jy = j3+2
+ jz = j3+3
+
+ tx = xp(ix)-xp(jx)
+ ty = xp(iy)-xp(jy)
+ tz = xp(iz)-xp(jz)
+ rpij2 = tx*tx+ty*ty+tz*tz
+
+ toler = dist2(ll)
+ diff = toler-rpij2
+ iconv = abs(diff)*tt(ll)
+
+ if (iconv .ne. 0) then
+ nconv = nconv + iconv
+ rrpr = rijx*tx+rijy*ty+rijz*tz
+
+ if (rrpr .lt. mytol*toler) then
+ error = ll
+ else
+ acor = diff*m2(ll)/rrpr
+ lagr(ll) = lagr(ll) + acor
+ xh = rijx*acor
+ yh = rijy*acor
+ zh = rijz*acor
+ im = invmass(i)
+ jm = invmass(j)
+ if ((im .ne. 0) .and. (jm .ne. 0)) then
+ xp(ix) = xp(ix) + xh*im
+ xp(iy) = xp(iy) + yh*im
+ xp(iz) = xp(iz) + zh*im
+ xp(jx) = xp(jx) - xh*jm
+ xp(jy) = xp(jy) - yh*jm
+ xp(jz) = xp(jz) - zh*jm
+ else
+ if ((im .eq. 0) .and. (jm .ne. 0)) then
+ xp(ix) = xp(ix) + xh*jm
+ xp(iy) = xp(iy) + yh*jm
+ xp(iz) = xp(iz) + zh*jm
+ else if ((jm .eq. 0) .and. (im .ne. 0)) then
+ xp(jx) = xp(jx) - xh*im
+ xp(jy) = xp(jy) - yh*im
+ xp(jz) = xp(jz) - zh*im
+ else
+ error = ll
+ endif
+ endif
+ end if
+ end if
+ end do
+
+ if (nconv .eq. 0) goto 10
+ if (error .ne. 0) goto 10
+ end do
+
+ 10 return
+
+ end
+
}
}
-static gmx_inline void new_i_nblist(t_nblist *nlist,
+static inline void new_i_nblist(t_nblist *nlist,
int ftype,atom_id i_atom,int shift,int gid,
int *mno)
{
}
#endif
-static gmx_inline void close_i_nblist(t_nblist *nlist)
+static inline void close_i_nblist(t_nblist *nlist)
{
int nri = nlist->nri;
int len;
nlist->maxlen = len;
}
-static gmx_inline void close_nblist(t_nblist *nlist)
+static inline void close_nblist(t_nblist *nlist)
{
if (nlist->maxnri > 0) {
int nri = nlist->nri;
}
}
-static gmx_inline void close_neighbor_list(t_forcerec *fr,bool bLR,int eNL)
+static inline void close_neighbor_list(t_forcerec *fr,bool bLR,int eNL)
{
int i;
nlist->nrj ++;
}
-static gmx_inline void put_in_list(bool bHaveLJ[],
+static inline void put_in_list(bool bHaveLJ[],
int ngid,t_mdatoms *md,
int icg,int jgid,int nj,atom_id jjcg[],
atom_id index[],atom_id a[],
*
************************************************/
-static gmx_inline void get_dx(int Nx,real gridx,real grid_x,real rc2,real x,
+static inline void get_dx(int Nx,real gridx,real grid_x,real rc2,real x,
int *dx0,int *dx1,real *dcx2)
{
real dcx,tmp;
}
/* We have a FORTRAN shake now! */
-#ifdef USEF77
- fshake(iatom,&ncon,&nit,&maxnit,dist2,xp[0],rij[0],M2,invmass,tt,lagr,
- &error);
+#ifdef USE_FORTRAN
+ F77_FUNC(fshake,FSHAKE)(iatom,&ncon,&nit,&maxnit,dist2,xp[0],
+ rij[0],M2,invmass,tt,lagr,&error);
#else
/* And a c shake also ! */
cshake(iatom,ncon,&nit,maxnit,dist2,xp[0],rij[0],M2,invmass,tt,lagr,&error);
+++ /dev/null
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-buttons.o: $(GMXHOME)/src/include/smalloc.h
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-xrama.o: $(GMXHOME)/src/include/readinp.h
-xrama.o: $(GMXHOME)/src/include/wman.h
-xrama.o: $(GMXHOME)/src/include/nrama.h
-xrama.o: $(GMXHOME)/src/include/mshift.h
-xstat.o: $(GMXHOME)/src/include/sysstuff.h
-xstat.o: $(GMXHOME)/src/include/smalloc.h
-xstat.o: $(GMXHOME)/src/include/typedefs.h
-xstat.o: $(GMXHOME)/src/include/types/simple.h
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-xstat.o: $(GMXHOME)/src/include/types/block.h
-xstat.o: $(GMXHOME)/src/include/types/symtab.h
-xstat.o: $(GMXHOME)/src/include/types/idef.h
-xstat.o: $(GMXHOME)/src/include/types/atoms.h
-xstat.o: $(GMXHOME)/src/include/types/trx.h
-xstat.o: $(GMXHOME)/src/include/types/topology.h
-xstat.o: $(GMXHOME)/src/include/types/energy.h
-xstat.o: $(GMXHOME)/src/include/types/inputrec.h
-xstat.o: $(GMXHOME)/src/include/types/nsborder.h
-xstat.o: $(GMXHOME)/src/include/types/ishift.h
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-xstat.o: $(GMXHOME)/src/include/fatal.h
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-xutil.o: $(GMXHOME)/src/include/smalloc.h
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+++ /dev/null
-#!gmake
-#
-# Makefile for ngmx library
-#
-ifeq ($(GMXHOME),)
-all:
- echo "No GROMACS environment, Please source your GMXRC file"
-else
-include $(GMXHOME)/src/makef/Makefile.def
-
-XOBJ = xutil.o xmb.o x11.o \
- xdlghi.o fgrid.o xdlgitem.o \
- popup.o pulldown.o xdlg.o \
- manager.o buttons.o nmol.o \
- nleg.o dialogs.o logo.o \
- filter.o molps.o
-ifneq ($(PARALLEL_ONLY_MDRUN),yes)
-PROGRAMS= ngmx xrama highway
-endif
-SLIBS = $(XLIBS) $(SYSLIBS)
-
-include $(STDTARGET)
-
-ngmx: ngmx.o $(XOBJ)
- $(LD) -o $@ $^ $(SLIBS)
-
-xrama: xrama.o $(XOBJ)
- $(LD) -o $@ $^ $(SLIBS)
-
-gmxlogo: gmxlogo.o logo.o $(XOBJ)
- $(LD) -o $@ $^ $(SLIBS)
-
-highway: highway.o $(XOBJ)
- $(LD) -o $@ $^ $(SLIBS)
-
-dlg: dlg.o $(XOBJ)
- $(LD) -o $@ $^ $(SLIBS)
-
-scrollw: scrollw.o $(XOBJ)
- $(LD) -o $@ $^ $(SLIBS)
-
-showcol: showcol.o $(XOBJ)
- $(LD) -o $@ $^ $(SLIBS)
-
-$(GMXHOME)/src/makef/Makefile.def:
- echo "Wrong GROMACS environment, Please source GMXRC in this source tree"
-
-include Make.dep
-endif
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+
+include $(srcdir)/../Makefile.inc
+
+# This is necessary for VPATH to work,
+# but it can probably be done in a nicer way...
+INCLUDES = @INCLUDES@ -I$(top_srcdir)/src/include
+LDFLAGS = @LDFLAGS@ -L${top_builddir}/src/gmxlib -L${top_builddir}/src/mdlib
+LDADD = -lmdXXX_SUFFIX_XXX -lgmxXXX_SUFFIX_XXX
+
+# Ngmx requires X - nothing is built if it doesn't exist
+
+if USE_X11
+
+bin_PROGRAMS = ngmxXXX_SUFFIX_XXX xramaXXX_SUFFIX_XXX \
+ highwayXXX_SUFFIX_XXX
+
+EXTRA_PROGRAMS = gmxlogoXXX_SUFFIX_XXX dlgXXX_SUFFIX_XXX \
+ scrollwXXX_SUFFIX_XXX showcolXXX_SUFFIX_XXX
+
+XSRC = xutil.c xmb.c x11.c \
+ xdlghi.c fgrid.c xdlgitem.c \
+ popup.c pulldown.c xdlg.c \
+ manager.c buttons.c nmol.c \
+ nleg.c dialogs.c logo.c \
+ filter.c molps.c Xstuff.h \
+ dialogs.h logo.h molps.h \
+ nleg.h nmol.h pulldown.h \
+ xdlg.h xdlgitem.h xutil.h \
+ buttons.h fgrid.h manager.h \
+ nener.h nload.h popup.h \
+ x11.h xdlghi.h xmb.h \
+ alert.bm gromacs.bm play.bm \
+ rewind.bm stop_ani.bm ff.bm \
+ info.bm rama.bm stop.bm
+
+ngmxXXX_SUFFIX_XXX_SOURCES = ngmx.c $(XSRC)
+
+xramaXXX_SUFFIX_XXX_SOURCES = xrama.c $(XSRC)
+
+highwayXXX_SUFFIX_XXX_SOURCES = highway.c $(XSRC)
+
+gmxlogoXXX_SUFFIX_XXX_SOURCES = gmxlogo.c logo.c $(XSRC)
+
+dlgXXX_SUFFIX_XXX_SOURCES = dlg.c $(XSRC)
+
+scrollwXXX_SUFFIX_XXX_SOURCES = scrollw.c $(XSRC)
+
+showcolXXX_SUFFIX_XXX_SOURCES = showcol.c $(XSRC)
+
+endif
+
+# clean things explicitly, since the target names might have changed
+CLEANFILES = ${bin_PROGRAMS} ${EXTRA_PROGRAMS} \
+ *_mpi *_d *~ \\\#*
\ No newline at end of file
+++ /dev/null
-addconf.o: $(GMXHOME)/src/include/vec.h
-addconf.o: $(GMXHOME)/src/include/maths.h
-addconf.o: $(GMXHOME)/src/include/typedefs.h
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-trjorder.o: $(GMXHOME)/src/include/readinp.h
-trjorder.o: $(GMXHOME)/src/include/wman.h
-trjorder.o: $(GMXHOME)/src/include/smalloc.h
-trjorder.o: $(GMXHOME)/src/include/macros.h
-trjorder.o: $(GMXHOME)/src/include/vec.h
-trjorder.o: $(GMXHOME)/src/include/maths.h
-trjorder.o: $(GMXHOME)/src/include/x86cpu.h
-trjorder.o: $(GMXHOME)/src/include/pbc.h
-trjorder.o: $(GMXHOME)/src/include/copyrite.h
-trjorder.o: $(GMXHOME)/src/include/rdgroup.h
-trjorder.o: $(GMXHOME)/src/include/mshift.h
-trjorder.o: $(GMXHOME)/src/include/xvgr.h
-trjorder.o: $(GMXHOME)/src/include/viewit.h
-trjorder.o: $(GMXHOME)/src/include/princ.h
-trjorder.o: $(GMXHOME)/src/include/rmpbc.h
-trjorder.o: $(GMXHOME)/src/include/txtdump.h
-trjorder.o: $(GMXHOME)/src/include/tpxio.h
-trjorder.o: $(GMXHOME)/src/include/xdrf.h
-wheel.o: $(GMXHOME)/src/include/sysstuff.h
-wheel.o: $(GMXHOME)/src/include/physics.h
-wheel.o: $(GMXHOME)/src/include/string2.h
-wheel.o: $(GMXHOME)/src/include/typedefs.h
-wheel.o: $(GMXHOME)/src/include/types/simple.h
-wheel.o: $(GMXHOME)/src/include/types/enums.h
-wheel.o: $(GMXHOME)/src/include/types/block.h
-wheel.o: $(GMXHOME)/src/include/types/symtab.h
-wheel.o: $(GMXHOME)/src/include/types/idef.h
-wheel.o: $(GMXHOME)/src/include/types/atoms.h
-wheel.o: $(GMXHOME)/src/include/types/trx.h
-wheel.o: $(GMXHOME)/src/include/types/topology.h
-wheel.o: $(GMXHOME)/src/include/types/energy.h
-wheel.o: $(GMXHOME)/src/include/types/inputrec.h
-wheel.o: $(GMXHOME)/src/include/types/nsborder.h
-wheel.o: $(GMXHOME)/src/include/types/ishift.h
-wheel.o: $(GMXHOME)/src/include/types/graph.h
-wheel.o: $(GMXHOME)/src/include/fatal.h
-wheel.o: $(GMXHOME)/src/include/types/nrnb.h
-wheel.o: $(GMXHOME)/src/include/types/nblist.h
-wheel.o: $(GMXHOME)/src/include/types/nsgrid.h
-wheel.o: $(GMXHOME)/src/include/types/commrec.h
-wheel.o: $(GMXHOME)/src/include/types/forcerec.h
-wheel.o: $(GMXHOME)/src/include/types/mdatom.h
-wheel.o: $(GMXHOME)/src/include/types/ifunc.h
-wheel.o: $(GMXHOME)/src/include/types/filenm.h
-wheel.o: $(GMXHOME)/src/include/types/group.h
-wheel.o: $(GMXHOME)/src/include/types/drblock.h
-wheel.o: $(GMXHOME)/src/include/types/parm.h
-wheel.o: $(GMXHOME)/src/include/types/matrix.h
-wheel.o: $(GMXHOME)/src/include/types/edsams.h
-wheel.o: $(GMXHOME)/src/include/types/pulls.h
-wheel.o: $(GMXHOME)/src/include/smalloc.h
-wheel.o: $(GMXHOME)/src/include/macros.h
-wheel.o: $(GMXHOME)/src/include/vec.h
-wheel.o: $(GMXHOME)/src/include/maths.h
-wheel.o: $(GMXHOME)/src/include/x86cpu.h
-wheel.o: $(GMXHOME)/src/include/xvgr.h
-wheel.o: $(GMXHOME)/src/include/viewit.h
-wheel.o: $(GMXHOME)/src/include/pbc.h
-wheel.o: $(GMXHOME)/src/include/copyrite.h
-wheel.o: $(GMXHOME)/src/include/futil.h
-wheel.o: $(GMXHOME)/src/include/strdb.h
-wheel.o: $(GMXHOME)/src/include/statutil.h
-wheel.o: $(GMXHOME)/src/include/filenm.h
-wheel.o: $(GMXHOME)/src/include/readinp.h
-wheel.o: $(GMXHOME)/src/include/wman.h
-wheel.o: $(GMXHOME)/src/include/rdgroup.h
-wheel.o: $(GMXHOME)/src/include/gstat.h
-wheel.o: $(GMXHOME)/src/include/mshift.h
-wheel.o: $(GMXHOME)/src/include/rmpbc.h
-wheel.o: $(GMXHOME)/src/include/writeps.h
-xpm2ps.o: $(GMXHOME)/src/include/string2.h
-xpm2ps.o: $(GMXHOME)/src/include/typedefs.h
-xpm2ps.o: $(GMXHOME)/src/include/sysstuff.h
-xpm2ps.o: $(GMXHOME)/src/include/types/simple.h
-xpm2ps.o: $(GMXHOME)/src/include/types/enums.h
-xpm2ps.o: $(GMXHOME)/src/include/types/block.h
-xpm2ps.o: $(GMXHOME)/src/include/types/symtab.h
-xpm2ps.o: $(GMXHOME)/src/include/types/idef.h
-xpm2ps.o: $(GMXHOME)/src/include/types/atoms.h
-xpm2ps.o: $(GMXHOME)/src/include/types/trx.h
-xpm2ps.o: $(GMXHOME)/src/include/types/topology.h
-xpm2ps.o: $(GMXHOME)/src/include/types/energy.h
-xpm2ps.o: $(GMXHOME)/src/include/types/inputrec.h
-xpm2ps.o: $(GMXHOME)/src/include/types/nsborder.h
-xpm2ps.o: $(GMXHOME)/src/include/types/ishift.h
-xpm2ps.o: $(GMXHOME)/src/include/types/graph.h
-xpm2ps.o: $(GMXHOME)/src/include/fatal.h
-xpm2ps.o: $(GMXHOME)/src/include/types/nrnb.h
-xpm2ps.o: $(GMXHOME)/src/include/types/nblist.h
-xpm2ps.o: $(GMXHOME)/src/include/types/nsgrid.h
-xpm2ps.o: $(GMXHOME)/src/include/types/commrec.h
-xpm2ps.o: $(GMXHOME)/src/include/types/forcerec.h
-xpm2ps.o: $(GMXHOME)/src/include/types/mdatom.h
-xpm2ps.o: $(GMXHOME)/src/include/types/ifunc.h
-xpm2ps.o: $(GMXHOME)/src/include/types/filenm.h
-xpm2ps.o: $(GMXHOME)/src/include/types/group.h
-xpm2ps.o: $(GMXHOME)/src/include/types/drblock.h
-xpm2ps.o: $(GMXHOME)/src/include/types/parm.h
-xpm2ps.o: $(GMXHOME)/src/include/types/matrix.h
-xpm2ps.o: $(GMXHOME)/src/include/types/edsams.h
-xpm2ps.o: $(GMXHOME)/src/include/types/pulls.h
-xpm2ps.o: $(GMXHOME)/src/include/copyrite.h
-xpm2ps.o: $(GMXHOME)/src/include/macros.h
-xpm2ps.o: $(GMXHOME)/src/include/statutil.h
-xpm2ps.o: $(GMXHOME)/src/include/filenm.h
-xpm2ps.o: $(GMXHOME)/src/include/futil.h
-xpm2ps.o: $(GMXHOME)/src/include/readinp.h
-xpm2ps.o: $(GMXHOME)/src/include/wman.h
-xpm2ps.o: $(GMXHOME)/src/include/writeps.h
-xpm2ps.o: $(GMXHOME)/src/include/smalloc.h
-xpm2ps.o: $(GMXHOME)/src/include/matio.h
-xpm2ps.o: $(GMXHOME)/src/include/viewit.h
+++ /dev/null
-#!gmake
-#
-# @(#) Makefile 1.44 11/3/97
-#
-#
-# GROMACS - Groningen Machine for Chemical Simulation
-# Copyright (c) 1990, 1991, 1992, Groningen University
-#
-# Makefile for tools
-
-ifeq ($(GMXHOME),)
-all:
- echo "No GROMACS environment, Please source your GMXRC file"
-else
-include $(GMXHOME)/src/makef/Makefile.def
-
-LIB =
-ifneq ($(PARALLEL_ONLY_MDRUN),yes)
-PROGRAMS = \
- average do_dssp editconf eneconv \
- g_analyze g_anaeig g_angle g_bond \
- g_bundle g_chi g_cluster g_confrms \
- g_covar g_density g_dielectric g_dih \
- g_dipoles g_disre g_dist g_dyndom \
- g_enemat g_energy \
- g_gyrate g_h2order g_hbond g_helix \
- g_mdmat g_mindist g_msd g_morph \
- g_nmeig g_nmens g_order g_potential \
- g_rama g_rdens g_rdf g_rms \
- g_rmsdist g_rmsf g_rotacf g_saltbr \
- g_sas g_sgangle g_sorient g_tcaf \
- g_traj \
- g_velacc genbox genconf genion \
- genpr make_ndx mk_angndx trjcat \
- trjconv trjorder wheel xpm2ps
-endif
-
-ACOBJ = autocorr.o expfit.o polynomials.o \
- levenmar.o
-
-include $(STDTARGET)
-
-movebin:
- mv $(EXECUTABLES) $(BINDIR)
-
-disco: disco.o dlist.o dtools.o correct.o discopar.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-cdist: cdist.o bondlist.o smooth.o residues.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-genbox: genbox.o addconf.o
- $(LD) $(RUNLDOPT) -o $@ $^ $(RUNSYSLIBS)
-
-genconf: genconf.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-gendr: gendr.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-eneconv: eneconv.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-genion: genion.o calcpot.o edittop.o
- $(LD) $(RUNLDOPT) -o $@ $^ $(RUNSYSLIBS)
-
-genpr: genpr.o $(OBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-make_ndx: make_ndx.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-mk_angndx: mk_angndx.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_relax: g_relax.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-trjcat: trjcat.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-trjconv: trjconv.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-trjorder: trjorder.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_rmsdist: g_rmsdist.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-editconf: editconf.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_energy: g_energy.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_mdmat: g_mdmat.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_disre: g_disre.o
- $(LD) -o $@ $^ $(RUNSYSLIBS)
-
-g_gyrate: g_gyrate.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_chi: g_chi.o anadih.o pp2shift.o dlist.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_velacc: g_velacc.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_tcaf: g_tcaf.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_angle: g_angle.o anadih.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_dipoles: g_dipoles.o $(ACOBJ) lsq.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_dip2: g_dip2.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_rotacf: g_rotacf.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-testacf: testacf.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_dielectric: g_dielectric.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_bond: g_bond.o lsq.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_traj: g_traj.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_rms: g_rms.o cmat.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_rmsf: g_rmsf.o ql77.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-average: average.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_mindist: g_mindist.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_dih: g_dih.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-do_dssp: do_dssp.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-xpm2ps: xpm2ps.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-sas2mat: sas2mat.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_rama: g_rama.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_sgangle: g_sgangle.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_bundle: g_bundle.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_sorient: g_sorient.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_order: g_order.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_h2order: g_h2order.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_potential: g_potential.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_density: g_density.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_saltbr: g_saltbr.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_rdens: g_rdens.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_nmeig: g_nmeig.o eigio.o ql77.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_nmens: g_nmens.o eigio.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_covar: g_covar.o eigio.o ql77.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_anaeig: g_anaeig.o eigio.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_dist: g_dist.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_confrms: g_confrms.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-chkbang: chkbang.o
- $(LD) -o $@ $^ $(SYSLIBS)
-#
-# Helix stuff
-#
-g_helix: g_helix.o hxprops.o fitahx.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-proptim: proptim.o hxprops.o readev.o \
- mcprop.o orise.o pinput.o \
- recomb.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-wheel: wheel.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_rdf: g_rdf.o $(ACOBJ)
- $(LD) -o $@ $^ $(RUNSYSLIBS)
-
-g_com: g_com.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_msd: g_msd.o lsq.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_hbond: g_hbond.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_enemat: g_enemat.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_sas: g_sas.o nsc.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_cluster: g_cluster.o ql77.o cmat.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_multipoles: g_multipoles.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_analyze: g_analyze.o $(ACOBJ)
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_morph: g_morph.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-g_dyndom: g_dyndom.o
- $(LD) -o $@ $^ $(SYSLIBS)
-
-$(GMXHOME)/src/makef/Makefile.def:
- echo "Wrong GROMACS environment, Please source GMXRC in this source tree"
-
-include Make.dep
-endif
--- /dev/null
+## Process this file with automake to produce Makefile.in
+#
+# Don't edit - this file is generated automatically from Makefile.am
+#
+include $(srcdir)/../Makefile.inc
+
+# This is necessary for VPATH to work,
+# but it can probably be done in a nicer way...
+INCLUDES = @INCLUDES@ -I$(top_srcdir)/src/include
+LDFLAGS = @LDFLAGS@ -L${top_builddir}/src/gmxlib -L${top_builddir}/src/mdlib
+LDADD = -lmdXXX_SUFFIX_XXX -lgmxXXX_SUFFIX_XXX
+
+bin_PROGRAMS = \
+ averageXXX_SUFFIX_XXX do_dsspXXX_SUFFIX_XXX \
+ editconfXXX_SUFFIX_XXX eneconvXXX_SUFFIX_XXX \
+ g_analyzeXXX_SUFFIX_XXX g_anaeigXXX_SUFFIX_XXX \
+ g_angleXXX_SUFFIX_XXX g_bondXXX_SUFFIX_XXX \
+ g_bundleXXX_SUFFIX_XXX g_chiXXX_SUFFIX_XXX \
+ g_clusterXXX_SUFFIX_XXX g_confrmsXXX_SUFFIX_XXX \
+ g_covarXXX_SUFFIX_XXX g_densityXXX_SUFFIX_XXX \
+ g_dielectricXXX_SUFFIX_XXX g_dihXXX_SUFFIX_XXX \
+ g_dipolesXXX_SUFFIX_XXX g_disreXXX_SUFFIX_XXX \
+ g_distXXX_SUFFIX_XXX g_dyndomXXX_SUFFIX_XXX \
+ g_enematXXX_SUFFIX_XXX g_energyXXX_SUFFIX_XXX \
+ g_gyrateXXX_SUFFIX_XXX g_h2orderXXX_SUFFIX_XXX \
+ g_hbondXXX_SUFFIX_XXX g_helixXXX_SUFFIX_XXX \
+ g_mdmatXXX_SUFFIX_XXX g_mindistXXX_SUFFIX_XXX \
+ g_msdXXX_SUFFIX_XXX g_morphXXX_SUFFIX_XXX \
+ g_nmeigXXX_SUFFIX_XXX g_nmensXXX_SUFFIX_XXX \
+ g_orderXXX_SUFFIX_XXX g_potentialXXX_SUFFIX_XXX \
+ g_ramaXXX_SUFFIX_XXX g_rdensXXX_SUFFIX_XXX \
+ g_rdfXXX_SUFFIX_XXX g_rmsXXX_SUFFIX_XXX \
+ g_rmsdistXXX_SUFFIX_XXX g_rmsfXXX_SUFFIX_XXX \
+ g_rotacfXXX_SUFFIX_XXX g_saltbrXXX_SUFFIX_XXX \
+ g_sasXXX_SUFFIX_XXX g_sgangleXXX_SUFFIX_XXX \
+ g_sorientXXX_SUFFIX_XXX g_tcafXXX_SUFFIX_XXX \
+ g_trajXXX_SUFFIX_XXX g_velaccXXX_SUFFIX_XXX \
+ genboxXXX_SUFFIX_XXX genconfXXX_SUFFIX_XXX \
+ genionXXX_SUFFIX_XXX genprXXX_SUFFIX_XXX \
+ make_ndxXXX_SUFFIX_XXX mk_angndxXXX_SUFFIX_XXX \
+ trjcatXXX_SUFFIX_XXX trjconvXXX_SUFFIX_XXX \
+ trjorderXXX_SUFFIX_XXX wheelXXX_SUFFIX_XXX \
+ xpm2psXXX_SUFFIX_XXX
+
+
+AUTOCORR_SRC = autocorr.c expfit.c polynomials.c \
+ levenmar.c
+
+averageXXX_SUFFIX_XXX_SOURCES = average.c
+
+do_dsspXXX_SUFFIX_XXX_SOURCES = do_dssp.c
+
+editconfXXX_SUFFIX_XXX_SOURCES = editconf.c
+
+eneconvXXX_SUFFIX_XXX_SOURCES = eneconv.c
+
+g_analyzeXXX_SUFFIX_XXX_SOURCES = g_analyze.c $(AUTOCORR_SRC)
+
+g_anaeigXXX_SUFFIX_XXX_SOURCES = g_anaeig.c eigio.c
+
+g_angleXXX_SUFFIX_XXX_SOURCES = g_angle.c anadih.c $(AUTOCORR_SRC)
+
+g_bondXXX_SUFFIX_XXX_SOURCES = g_bond.c lsq.c
+
+g_bundleXXX_SUFFIX_XXX_SOURCES = g_bundle.c
+
+g_chiXXX_SUFFIX_XXX_SOURCES = g_chi.c anadih.c pp2shift.c \
+ pp2shift.h dlist.c $(AUTOCORR_SRC)
+
+g_clusterXXX_SUFFIX_XXX_SOURCES = g_cluster.c ql77.c ql77.h \
+ cmat.c
+
+g_confrmsXXX_SUFFIX_XXX_SOURCES = g_confrms.c
+
+g_covarXXX_SUFFIX_XXX_SOURCES = g_covar.c eigio.c ql77.c \
+ ql77.h
+
+g_densityXXX_SUFFIX_XXX_SOURCES = g_density.c
+
+g_dielectricXXX_SUFFIX_XXX_SOURCES = g_dielectric.c $(AUTOCORR_SRC)
+
+g_dihXXX_SUFFIX_XXX_SOURCES = g_dih.c
+
+g_dipolesXXX_SUFFIX_XXX_SOURCES = g_dipoles.c lsq.c $(AUTOCORR_SRC)
+
+g_disreXXX_SUFFIX_XXX_SOURCES = g_disre.c
+
+g_distXXX_SUFFIX_XXX_SOURCES = g_dist.c
+
+g_dyndomXXX_SUFFIX_XXX_SOURCES = g_dyndom.c
+
+g_enematXXX_SUFFIX_XXX_SOURCES = g_enemat.c
+
+g_energyXXX_SUFFIX_XXX_SOURCES = g_energy.c $(AUTOCORR_SRC)
+
+g_gyrateXXX_SUFFIX_XXX_SOURCES = g_gyrate.c
+
+g_h2orderXXX_SUFFIX_XXX_SOURCES = g_h2order.c
+
+g_hbondXXX_SUFFIX_XXX_SOURCES = g_hbond.c $(AUTOCORR_SRC)
+
+g_helixXXX_SUFFIX_XXX_SOURCES = g_helix.c hxprops.c hxprops.h \
+ fitahx.c fitahx.h
+
+g_mdmatXXX_SUFFIX_XXX_SOURCES = g_mdmat.c
+
+g_mindistXXX_SUFFIX_XXX_SOURCES = g_mindist.c
+
+g_msdXXX_SUFFIX_XXX_SOURCES = g_msd.c lsq.c
+
+g_morphXXX_SUFFIX_XXX_SOURCES = g_morph.c
+
+g_nmeigXXX_SUFFIX_XXX_SOURCES = g_nmeig.c eigio.c eigio.h \
+ ql77.c ql77.h
+
+g_nmensXXX_SUFFIX_XXX_SOURCES = g_nmens.c eigio.c
+
+g_orderXXX_SUFFIX_XXX_SOURCES = g_order.c
+
+g_potentialXXX_SUFFIX_XXX_SOURCES = g_potential.c
+
+g_ramaXXX_SUFFIX_XXX_SOURCES = g_rama.c
+
+g_rdensXXX_SUFFIX_XXX_SOURCES = g_rdens.c
+
+g_rdfXXX_SUFFIX_XXX_SOURCES = g_rdf.c $(AUTOCORR_SRC)
+
+g_rmsXXX_SUFFIX_XXX_SOURCES = g_rms.c cmat.c cmat.h
+
+g_rmsdistXXX_SUFFIX_XXX_SOURCES = g_rmsdist.c
+
+g_rmsfXXX_SUFFIX_XXX_SOURCES = g_rmsf.c ql77.c ql77.h
+
+g_rotacfXXX_SUFFIX_XXX_SOURCES = g_rotacf.c $(AUTOCORR_SRC)
+
+g_saltbrXXX_SUFFIX_XXX_SOURCES = g_saltbr.c
+
+g_sasXXX_SUFFIX_XXX_SOURCES = g_sas.c nsc.c nsc.h
+
+g_sgangleXXX_SUFFIX_XXX_SOURCES = g_sgangle.c
+
+g_sorientXXX_SUFFIX_XXX_SOURCES = g_sorient.c
+
+g_tcafXXX_SUFFIX_XXX_SOURCES = g_tcaf.c $(AUTOCORR_SRC)
+
+g_trajXXX_SUFFIX_XXX_SOURCES = g_traj.c
+
+g_velaccXXX_SUFFIX_XXX_SOURCES = g_velacc.c $(AUTOCORR_SRC)
+
+genboxXXX_SUFFIX_XXX_SOURCES = genbox.c addconf.c addconf.h
+
+genconfXXX_SUFFIX_XXX_SOURCES = genconf.c
+
+genionXXX_SUFFIX_XXX_SOURCES = genion.c calcpot.c calcpot.h edittop.c
+
+genprXXX_SUFFIX_XXX_SOURCES = genpr.c
+
+make_ndxXXX_SUFFIX_XXX_SOURCES = make_ndx.c
+
+mk_angndxXXX_SUFFIX_XXX_SOURCES = mk_angndx.c
+
+trjcatXXX_SUFFIX_XXX_SOURCES = trjcat.c
+
+trjconvXXX_SUFFIX_XXX_SOURCES = trjconv.c
+
+trjorderXXX_SUFFIX_XXX_SOURCES = trjorder.c
+
+wheelXXX_SUFFIX_XXX_SOURCES = wheel.c
+
+xpm2psXXX_SUFFIX_XXX_SOURCES = xpm2ps.c
+
+
+# clean things explicitly, since the target names might have changed
+CLEANFILES = ${bin_PROGRAMS} ${EXTRA_PROGRAMS} \
+ *_mpi *_d *~ \\\#*
+
+
double *yav,yyy,yyy2,ymin,ymax,aver,var,sd;
int i,j,k,nav=100,ncol=1,MAX=50000;
char buf[STRLEN];
- bool bSilent=FALSE,bVerySilent;
+ bool bSilent=FALSE,bVerySilent=FALSE;
double lsq_a,lsq_b,rms_res;
for(i=1; (i<argc); i++) {
bool b = FALSE;
int ddd;
-#define BBB(x) (dl->atm.##x != -1)
switch (Dih) {
case edPhi:
- b = (BBB(H) && BBB(N) && BBB(Cn[1]) && BBB(C));
+ b = ((dl->atm.H!=-1) && (dl->atm.N!=-1) && (dl->atm.Cn[1]!=-1) && (dl->atm.C!=-1));
break;
case edPsi:
- b = (BBB(N) && BBB(Cn[1]) && BBB(C) && BBB(O));
+ b = ((dl->atm.N!=-1) && (dl->atm.Cn[1]!=-1) && (dl->atm.C!=-1) && (dl->atm.O!=-1));
break;
case edOmega:
- b = (BBB(minO) && BBB(minC) && BBB(N) && BBB(Cn[1]));
+ b = ((dl->atm.minO!=-1) && (dl->atm.minC!=-1) && (dl->atm.N!=-1) && (dl->atm.Cn[1]!=-1));
break;
case edChi1:
case edChi2:
case edChi5:
case edChi6:
ddd = Dih - edChi1;
- b = (BBB(Cn[ddd]) && BBB(Cn[ddd+1]) && BBB(Cn[ddd+2]) && BBB(Cn[ddd+3]));
+ b = ((dl->atm.Cn[ddd]!=-1) && (dl->atm.Cn[ddd+1]!=-1)&&
+ (dl->atm.Cn[ddd+2]!=-1) && (dl->atm.Cn[ddd+3]!=-1));
break;
default:
pr_dlist(stdout,1,dl,1);
neq=read_equiv(eq_fn,&equiv);
if (debug) dump_equiv(debug,neq,equiv);
} else {
- neq=NULL;
+ neq=0;
equiv=NULL;
}
rvec *x;
FILE *fp;
- int status,isize,gnr;
+ int status,isize,gnr=0;
atom_id *index, *noe_index;
char *grpname;
real **d_r,**d,**dtot,**dtot2,**mean,**rms,**rmsc,*resnr;
real **dtot1_3=NULL,**dtot1_6=NULL;
real rmsnow,meanmax,rmsmax,rmscmax;
real max1_3,max1_6;
- t_noe_gr *noe_gr;
- t_noe **noe;
+ t_noe_gr *noe_gr=NULL;
+ t_noe **noe=NULL;
t_rgb rlo,rhi;
char buf[255];
bool bRMS, bScale, bMean, bNOE, bNMR3, bNMR6, bNMR;
t_topology top;
t_trxframe fr;
matrix box;
- bool bTPS,bTop;
+ bool bTPS,bTop=FALSE;
int gnx;
- atom_id *index,*a,*atndx,at;
+ atom_id *index,*a=NULL,*atndx=NULL,at;
char *grpname;
char title[256];
real t0,t1,m;
t_moltypes *moltypes;
int *tps;
t_atoms *atoms,*newatoms;
- rvec *newx, *newv;
+ rvec *newx, *newv=NULL;
real *newr;
fprintf(stderr,"Sorting configuration\n");
*timestep=fr.time-t;
}
else {
- if (imax==NOTSET)
+ if (imax==NOTSET) {
if(natoms!=fr.natoms)
fatal_error(0,"\nDifferent number of atoms (%d/%d)in files",
natoms,fr.natoms);
- else
+ } else {
if(fr.natoms >= imax)
fatal_error(0,"\nNot enough atoms (%d) for index group (%d)",
fr.natoms,imax);
+ }
}
close_trj(status);
}
fprintf(stderr,"\n");
-
+
sfree(fr.x);
}
{
real space;
bool bTryAgain,bFive;
- int i,j,t,f,ten;
+ int i,j,t,f=0,ten;
#define NFACT 6
int major_fact[NFACT] = {1, 2, 2.5, 4, 5, 7.5};
int minor_fact[NFACT] = {5, 4, 5, 4, 5, 2.5};
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff