From: Teemu Murtola Date: Sat, 5 Apr 2014 03:16:57 +0000 (+0300) Subject: Move gmx_fatal.* to utility/fatalerror.* X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=1fe1fb548d688168404b0fa2ea94491bad6dcaa5;p=alexxy%2Fgromacs.git Move gmx_fatal.* to utility/fatalerror.* One more included-by-all header to utility/. Mainly mechanical replacement of include paths, some reordering in C++ files. Minor clean-up in the moved files. gmx_fatal_collective.h not moved at this point, as it is unclear whether it should go here, or somewhere else (utility/ should not depend on t_commrec...). Now, it's mainly types/simple.h that prevents removing some module-level dependencies to legacyheaders/. Finding a good location for that (or its contents, if it needs to be split), and reorganizing the code a bit more should now allow really putting utility/ at the bottom of the dependency stack where it belongs. Part of #1415. Change-Id: I6e487566d5bd7c9ec7a1455a2d31bd6d645bada3 --- diff --git a/src/contrib/anaf.c b/src/contrib/anaf.c index c71140f3b9..1a31057a2e 100644 --- a/src/contrib/anaf.c +++ b/src/contrib/anaf.c @@ -46,7 +46,7 @@ #include "copyrite.h" #include "sysstuff.h" #include "txtdump.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/xtcio.h" #include "gromacs/fileio/enxio.h" #include "gromacs/utility/smalloc.h" diff --git a/src/contrib/do_multiprot.c b/src/contrib/do_multiprot.c index 23459e1c55..9fd9f01201 100644 --- a/src/contrib/do_multiprot.c +++ b/src/contrib/do_multiprot.c @@ -47,7 +47,7 @@ #include "gromacs/commandline/pargs.h" #include "copyrite.h" #include "gromacs/fileio/pdbio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "xvgr.h" #include "gromacs/fileio/matio.h" #include "index.h" diff --git a/src/contrib/do_shift.c b/src/contrib/do_shift.c index d99072f1b9..3f8cd2851b 100644 --- a/src/contrib/do_shift.c +++ b/src/contrib/do_shift.c @@ -47,7 +47,7 @@ #include "gromacs/commandline/pargs.h" #include "copyrite.h" #include "gromacs/fileio/confio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "xvgr.h" #include "gstat.h" #include "index.h" diff --git a/src/contrib/ehanal.c b/src/contrib/ehanal.c index bd625ce29b..12d99e5666 100644 --- a/src/contrib/ehanal.c +++ b/src/contrib/ehanal.c @@ -42,7 +42,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "random.h" #include "gromacs/fileio/pdbio.h" #include "gromacs/fileio/futil.h" diff --git a/src/contrib/ehdata.c b/src/contrib/ehdata.c index f0f5d2c85e..19a780b939 100644 --- a/src/contrib/ehdata.c +++ b/src/contrib/ehdata.c @@ -41,7 +41,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "random.h" #include "gromacs/fileio/strdb.h" #include "gromacs/fileio/futil.h" diff --git a/src/contrib/ehole.c b/src/contrib/ehole.c index 39ac52b22e..6faa2a4bf3 100644 --- a/src/contrib/ehole.c +++ b/src/contrib/ehole.c @@ -44,7 +44,7 @@ #include "macros.h" #include "copyrite.h" #include "gromacs/commandline/pargs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "random.h" #include "gromacs/fileio/pdbio.h" #include "gromacs/fileio/futil.h" diff --git a/src/contrib/gmx_sdf.c b/src/contrib/gmx_sdf.c index 03bbf17d5c..9270a46ee7 100644 --- a/src/contrib/gmx_sdf.c +++ b/src/contrib/gmx_sdf.c @@ -35,7 +35,7 @@ #include "nrnb.h" #include "gstat.h" #include "gromacs/fileio/matio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define G_REF1 0 diff --git a/src/contrib/mkice.c b/src/contrib/mkice.c index 91fb0657ab..d90fb3f022 100644 --- a/src/contrib/mkice.c +++ b/src/contrib/mkice.c @@ -41,7 +41,7 @@ #include "typedefs.h" #include "gromacs/commandline/pargs.h" #include "copyrite.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/pdbio.h" #include "macros.h" #include "gromacs/utility/smalloc.h" diff --git a/src/contrib/pmetest.c b/src/contrib/pmetest.c index 3f03bb7d06..8a3ccccad6 100644 --- a/src/contrib/pmetest.c +++ b/src/contrib/pmetest.c @@ -46,7 +46,7 @@ #include "gromacs/fileio/tpxio.h" #include "gromacs/commandline/pargs.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "mdatoms.h" #include "coulomb.h" diff --git a/src/contrib/test.c b/src/contrib/test.c index 3bea84f5d9..449bcaebd9 100644 --- a/src/contrib/test.c +++ b/src/contrib/test.c @@ -41,7 +41,7 @@ #include "typedefs.h" #include "gromacs/commandline/pargs.h" #include "copyrite.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "xvgr.h" #include "gromacs/fileio/pdbio.h" #include "macros.h" diff --git a/src/contrib/test_fatal.c b/src/contrib/test_fatal.c index b2e52fe23d..c7f2849314 100644 --- a/src/contrib/test_fatal.c +++ b/src/contrib/test_fatal.c @@ -1,4 +1,4 @@ -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" void my_func(char *msg) { diff --git a/src/gromacs/commandline/pargs.cpp b/src/gromacs/commandline/pargs.cpp index e7236740c4..1a476f020b 100644 --- a/src/gromacs/commandline/pargs.cpp +++ b/src/gromacs/commandline/pargs.cpp @@ -52,7 +52,6 @@ #include "thread_mpi/threads.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/legacyheaders/macros.h" #include "gromacs/legacyheaders/network.h" @@ -66,6 +65,7 @@ #include "gromacs/utility/arrayref.h" #include "gromacs/utility/cstringutil.h" #include "gromacs/utility/exceptions.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/gmxassert.h" #include "gromacs/utility/programcontext.h" #include "gromacs/utility/smalloc.h" diff --git a/src/gromacs/essentialdynamics/edsam.c b/src/gromacs/essentialdynamics/edsam.c index 8c63fdf351..8c0443dc9d 100644 --- a/src/gromacs/essentialdynamics/edsam.c +++ b/src/gromacs/essentialdynamics/edsam.c @@ -61,7 +61,7 @@ #include "gromacs/mdlib/groupcoord.h" #include "gromacs/linearalgebra/nrjac.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* We use the same defines as in mvdata.c here */ #define block_bc(cr, d) gmx_bcast( sizeof(d), &(d), (cr)) diff --git a/src/gromacs/fft/fft.c b/src/gromacs/fft/fft.c index 591ff87e70..b55aaef95f 100644 --- a/src/gromacs/fft/fft.c +++ b/src/gromacs/fft/fft.c @@ -43,7 +43,7 @@ #include #include "types/simple.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fft/fft.h" #include "gromacs/math/gmxcomplex.h" diff --git a/src/gromacs/fft/fft5d.cpp b/src/gromacs/fft/fft5d.cpp index 06e0826a7d..4c7f40c235 100644 --- a/src/gromacs/fft/fft5d.cpp +++ b/src/gromacs/fft/fft5d.cpp @@ -76,7 +76,7 @@ FILE* debug = 0; #endif -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #ifdef GMX_FFT_FFTW3 diff --git a/src/gromacs/fft/fft_fftpack.c b/src/gromacs/fft/fft_fftpack.c index f56f40d0b0..954870f3e7 100644 --- a/src/gromacs/fft/fft_fftpack.c +++ b/src/gromacs/fft/fft_fftpack.c @@ -2,7 +2,7 @@ * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2003 David van der Spoel, Erik Lindahl, University of Groningen. - * Copyright (c) 2013, by the GROMACS development team, led by + * Copyright (c) 2013,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -44,7 +44,7 @@ #include "gromacs/fft/fft.h" #include "gromacs/legacyheaders/types/simple.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "external/fftpack/fftpack.h" diff --git a/src/gromacs/fft/fft_fftw3.cpp b/src/gromacs/fft/fft_fftw3.cpp index 16900074fa..81af1fe85c 100644 --- a/src/gromacs/fft/fft_fftw3.cpp +++ b/src/gromacs/fft/fft_fftw3.cpp @@ -2,7 +2,7 @@ * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2003 David van der Spoel, Erik Lindahl, University of Groningen. - * Copyright (c) 2013, by the GROMACS development team, led by + * Copyright (c) 2013,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -43,7 +43,7 @@ #include #include "gromacs/fft/fft.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #ifdef GMX_DOUBLE #define FFTWPREFIX(name) fftw_ ## name diff --git a/src/gromacs/fft/fft_mkl.c b/src/gromacs/fft/fft_mkl.c index e142c84d3b..1a12c280fe 100644 --- a/src/gromacs/fft/fft_mkl.c +++ b/src/gromacs/fft/fft_mkl.c @@ -2,7 +2,7 @@ * This file is part of the GROMACS molecular simulation package. * * Copyright (c) 1991-2003 David van der Spoel, Erik Lindahl, University of Groningen. - * Copyright (c) 2013, by the GROMACS development team, led by + * Copyright (c) 2013,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -44,7 +44,7 @@ #include #include "gromacs/fft/fft.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* For MKL version (<10.0), we should define MKL_LONG. */ diff --git a/src/gromacs/fft/parallel_3dfft.c b/src/gromacs/fft/parallel_3dfft.c index 7312cbedc7..0e3c4ef198 100644 --- a/src/gromacs/fft/parallel_3dfft.c +++ b/src/gromacs/fft/parallel_3dfft.c @@ -47,7 +47,7 @@ #include "gromacs/utility/gmxmpi.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "fft5d.h" diff --git a/src/gromacs/fileio/confio.c b/src/gromacs/fileio/confio.c index 9033b326a8..03a3c59d95 100644 --- a/src/gromacs/fileio/confio.c +++ b/src/gromacs/fileio/confio.c @@ -55,7 +55,7 @@ #include "pdbio.h" #include "tpxio.h" #include "trxio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "copyrite.h" #include "pbc.h" #include "mtop_util.h" diff --git a/src/gromacs/fileio/enxio.c b/src/gromacs/fileio/enxio.c index 1a7585f3fb..3486d8a8c2 100644 --- a/src/gromacs/fileio/enxio.c +++ b/src/gromacs/fileio/enxio.c @@ -41,7 +41,7 @@ #include #include "futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "gmxfio.h" #include "enxio.h" diff --git a/src/gromacs/fileio/filenm.c b/src/gromacs/fileio/filenm.c index 62f4521d86..bc6511dadf 100644 --- a/src/gromacs/fileio/filenm.c +++ b/src/gromacs/fileio/filenm.c @@ -45,7 +45,7 @@ #include #include "futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "gromacs/utility/smalloc.h" #include "gromacs/utility/cstringutil.h" diff --git a/src/gromacs/fileio/futil.cpp b/src/gromacs/fileio/futil.cpp index 6f272aa76a..a56dff6f91 100644 --- a/src/gromacs/fileio/futil.cpp +++ b/src/gromacs/fileio/futil.cpp @@ -67,7 +67,6 @@ #include "thread_mpi/threads.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/legacyheaders/types/commrec.h" #include "gromacs/legacyheaders/network.h" @@ -75,6 +74,7 @@ #include "gromacs/fileio/path.h" #include "gromacs/utility/cstringutil.h" #include "gromacs/utility/exceptions.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/programcontext.h" #include "gromacs/utility/smalloc.h" #include "gromacs/utility/stringutil.h" diff --git a/src/gromacs/fileio/gmxfio.c b/src/gromacs/fileio/gmxfio.c index ab627936dc..18133f0326 100644 --- a/src/gromacs/fileio/gmxfio.c +++ b/src/gromacs/fileio/gmxfio.c @@ -50,7 +50,7 @@ #include "thread_mpi/threads.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "gromacs/utility/smalloc.h" #include "futil.h" diff --git a/src/gromacs/fileio/gmxfio_asc.c b/src/gromacs/fileio/gmxfio_asc.c index f27756aa49..2b3881015b 100644 --- a/src/gromacs/fileio/gmxfio_asc.c +++ b/src/gromacs/fileio/gmxfio_asc.c @@ -48,7 +48,7 @@ #include #endif -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "gromacs/utility/smalloc.h" #include "futil.h" diff --git a/src/gromacs/fileio/gmxfio_xdr.c b/src/gromacs/fileio/gmxfio_xdr.c index 47ad3ca59c..47bfddd968 100644 --- a/src/gromacs/fileio/gmxfio_xdr.c +++ b/src/gromacs/fileio/gmxfio_xdr.c @@ -45,7 +45,7 @@ #include #endif -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "gromacs/utility/smalloc.h" #include "futil.h" diff --git a/src/gromacs/fileio/matio.cpp b/src/gromacs/fileio/matio.cpp index 0adabce026..3d3dceb167 100644 --- a/src/gromacs/fileio/matio.cpp +++ b/src/gromacs/fileio/matio.cpp @@ -48,7 +48,7 @@ #include "gromacs/utility/cstringutil.h" #include "macros.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "matio.h" #include "gmxfio.h" #include "gromacs/math/utilities.h" diff --git a/src/gromacs/fileio/mdoutf.c b/src/gromacs/fileio/mdoutf.c index 4b50c2a6c0..a8c09547f4 100644 --- a/src/gromacs/fileio/mdoutf.c +++ b/src/gromacs/fileio/mdoutf.c @@ -46,7 +46,7 @@ #include "checkpoint.h" #include "copyrite.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" struct gmx_mdoutf { diff --git a/src/gromacs/fileio/pdbio.c b/src/gromacs/fileio/pdbio.c index 16fa4a23db..aa97fcf1d3 100644 --- a/src/gromacs/fileio/pdbio.c +++ b/src/gromacs/fileio/pdbio.c @@ -56,7 +56,7 @@ #include "pbc.h" #include "gmxfio.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct { int ai, aj; diff --git a/src/gromacs/fileio/strdb.c b/src/gromacs/fileio/strdb.c index d46168b576..8fb8929497 100644 --- a/src/gromacs/fileio/strdb.c +++ b/src/gromacs/fileio/strdb.c @@ -44,7 +44,7 @@ #include #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "gromacs/utility/cstringutil.h" diff --git a/src/gromacs/fileio/timecontrol.c b/src/gromacs/fileio/timecontrol.c index 062a771665..c4618e69ed 100644 --- a/src/gromacs/fileio/timecontrol.c +++ b/src/gromacs/fileio/timecontrol.c @@ -43,7 +43,7 @@ #include "thread_mpi/threads.h" #include "gromacs/legacyheaders/types/simple.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* The source code in this file should be thread-safe. Please keep it that way. */ diff --git a/src/gromacs/fileio/tngio.cpp b/src/gromacs/fileio/tngio.cpp index c8854a3db7..518426a674 100644 --- a/src/gromacs/fileio/tngio.cpp +++ b/src/gromacs/fileio/tngio.cpp @@ -47,14 +47,15 @@ #endif #include "gromacs/legacyheaders/copyrite.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/legacyheaders/main.h" #include "gromacs/legacyheaders/physics.h" + +#include "gromacs/fileio/gmxfio.h" #include "gromacs/math/utilities.h" #include "gromacs/utility/common.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/gmxassert.h" #include "gromacs/utility/programcontext.h" -#include "gmxfio.h" static const char *modeToVerb(char mode) { diff --git a/src/gromacs/fileio/tngio_for_tools.cpp b/src/gromacs/fileio/tngio_for_tools.cpp index 3d7954d136..d8fae47a14 100644 --- a/src/gromacs/fileio/tngio_for_tools.cpp +++ b/src/gromacs/fileio/tngio_for_tools.cpp @@ -49,9 +49,9 @@ #include "gromacs/legacyheaders/types/atoms.h" #include "gromacs/legacyheaders/physics.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/utility/common.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" void gmx_prepare_tng_writing(const char *filename, diff --git a/src/gromacs/fileio/tpxio.c b/src/gromacs/fileio/tpxio.c index 0fdb93aad2..7aa1c0ad37 100644 --- a/src/gromacs/fileio/tpxio.c +++ b/src/gromacs/fileio/tpxio.c @@ -45,7 +45,7 @@ #include "sysstuff.h" #include "gromacs/utility/smalloc.h" #include "gromacs/utility/cstringutil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "names.h" #include "symtab.h" diff --git a/src/gromacs/fileio/trnio.c b/src/gromacs/fileio/trnio.c index 91634ce09a..bae6b1e61d 100644 --- a/src/gromacs/fileio/trnio.c +++ b/src/gromacs/fileio/trnio.c @@ -41,7 +41,7 @@ #include #include "sysstuff.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "txtdump.h" #include "names.h" #include "futil.h" diff --git a/src/gromacs/fileio/trxio.c b/src/gromacs/fileio/trxio.c index 25d3dd1fa4..192e21fd5d 100644 --- a/src/gromacs/fileio/trxio.c +++ b/src/gromacs/fileio/trxio.c @@ -66,7 +66,7 @@ #include "xdrf.h" #include "gromacs/fileio/timecontrol.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* defines for frame counter output */ #define SKIP1 10 diff --git a/src/gromacs/fileio/writeps.c b/src/gromacs/fileio/writeps.c index dba6c5c15e..fa6491d7e6 100644 --- a/src/gromacs/fileio/writeps.c +++ b/src/gromacs/fileio/writeps.c @@ -42,7 +42,7 @@ #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "gromacs/fileio/futil.h" diff --git a/src/gromacs/fileio/xdrd.c b/src/gromacs/fileio/xdrd.c index e48afd19bb..e05cbdd4fd 100644 --- a/src/gromacs/fileio/xdrd.c +++ b/src/gromacs/fileio/xdrd.c @@ -40,7 +40,7 @@ #include "typedefs.h" #include "xdrf.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" int xdr_real(XDR *xdrs, real *r) diff --git a/src/gromacs/fileio/xtcio.c b/src/gromacs/fileio/xtcio.c index da52ac6bc2..48fdcf475b 100644 --- a/src/gromacs/fileio/xtcio.c +++ b/src/gromacs/fileio/xtcio.c @@ -46,7 +46,7 @@ #include "gromacs/utility/smalloc.h" #include "vec.h" #include "futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define XTC_MAGIC 1995 diff --git a/src/gromacs/gmxana/anadih.c b/src/gromacs/gmxana/anadih.c index a9d28823e8..a6e926d3c2 100644 --- a/src/gromacs/gmxana/anadih.c +++ b/src/gromacs/gmxana/anadih.c @@ -53,7 +53,7 @@ #include "gromacs/fileio/confio.h" #include "gromacs/fileio/trxio.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" void print_one(const output_env_t oenv, const char *base, const char *name, const char *title, const char *ylabel, int nf, real time[], diff --git a/src/gromacs/gmxana/autocorr.c b/src/gromacs/gmxana/autocorr.c index 5aca984fc6..d84f8b23b0 100644 --- a/src/gromacs/gmxana/autocorr.c +++ b/src/gromacs/gmxana/autocorr.c @@ -50,7 +50,7 @@ #include "gromacs/fileio/futil.h" #include "gstat.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "correl.h" diff --git a/src/gromacs/gmxana/binsearch.c b/src/gromacs/gmxana/binsearch.c index 5e273a0bc0..f68522095c 100644 --- a/src/gromacs/gmxana/binsearch.c +++ b/src/gromacs/gmxana/binsearch.c @@ -1,7 +1,7 @@ /* * This file is part of the GROMACS molecular simulation package. * - * Copyright (c) 2010,2011,2013, by the GROMACS development team, led by + * Copyright (c) 2010,2011,2013,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -37,7 +37,7 @@ #endif #include #include "types/simple.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /*Make range-array (Permutation identity) for sorting */ void rangeArray(int *ar, int size) diff --git a/src/gromacs/gmxana/dlist.c b/src/gromacs/gmxana/dlist.c index 11ee4eaea0..3f86100cbe 100644 --- a/src/gromacs/gmxana/dlist.c +++ b/src/gromacs/gmxana/dlist.c @@ -43,7 +43,7 @@ #include "gromacs/utility/smalloc.h" #include "gstat.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "index.h" t_dlist *mk_dlist(FILE *log, diff --git a/src/gromacs/gmxana/edittop.c b/src/gromacs/gmxana/edittop.c index 973660bdc8..50dd7731c7 100644 --- a/src/gromacs/gmxana/edittop.c +++ b/src/gromacs/gmxana/edittop.c @@ -39,7 +39,7 @@ #endif #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "symtab.h" void replace_atom(t_topology *top, int inr, char *anm, char *resnm, diff --git a/src/gromacs/gmxana/expfit.c b/src/gromacs/gmxana/expfit.c index 406f5a36b1..874f0bae1b 100644 --- a/src/gromacs/gmxana/expfit.c +++ b/src/gromacs/gmxana/expfit.c @@ -49,7 +49,7 @@ #include "vec.h" #include "index.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" const int nfp_ffn[effnNR] = { 0, 1, 2, 3, 2, 5, 7, 9, 4, 3}; diff --git a/src/gromacs/gmxana/fitahx.c b/src/gromacs/gmxana/fitahx.c index 7ee4bf867c..ebf5b50f6b 100644 --- a/src/gromacs/gmxana/fitahx.c +++ b/src/gromacs/gmxana/fitahx.c @@ -42,7 +42,7 @@ #include "vec.h" #include "gromacs/math/do_fit.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" static void my_calc_xcm(int nbb, atom_id bbind[], rvec x[], rvec xcm) diff --git a/src/gromacs/gmxana/geminate.c b/src/gromacs/gmxana/geminate.c index 79dc949fd3..10d965044b 100644 --- a/src/gromacs/gmxana/geminate.c +++ b/src/gromacs/gmxana/geminate.c @@ -42,7 +42,7 @@ #include "vec.h" #include "geminate.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/gmxomp.h" static void missing_code_message() diff --git a/src/gromacs/gmxana/gmx_anadock.c b/src/gromacs/gmxana/gmx_anadock.c index 67bb1e7c6c..e70293c9ba 100644 --- a/src/gromacs/gmxana/gmx_anadock.c +++ b/src/gromacs/gmxana/gmx_anadock.c @@ -43,7 +43,7 @@ #include "gromacs/fileio/confio.h" #include "copyrite.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "gromacs/utility/cstringutil.h" #include "vec.h" diff --git a/src/gromacs/gmxana/gmx_anaeig.c b/src/gromacs/gmxana/gmx_anaeig.c index f59b1130d8..f34c0a94d0 100644 --- a/src/gromacs/gmxana/gmx_anaeig.c +++ b/src/gromacs/gmxana/gmx_anaeig.c @@ -44,7 +44,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "pbc.h" #include "gromacs/fileio/futil.h" diff --git a/src/gromacs/gmxana/gmx_analyze.c b/src/gromacs/gmxana/gmx_analyze.c index 494e19e3e0..f7dec63352 100644 --- a/src/gromacs/gmxana/gmx_analyze.c +++ b/src/gromacs/gmxana/gmx_analyze.c @@ -44,7 +44,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "copyrite.h" #include "gromacs/fileio/futil.h" diff --git a/src/gromacs/gmxana/gmx_angle.c b/src/gromacs/gmxana/gmx_angle.c index 65bfad1cc5..44fbc54332 100644 --- a/src/gromacs/gmxana/gmx_angle.c +++ b/src/gromacs/gmxana/gmx_angle.c @@ -50,7 +50,7 @@ #include "vec.h" #include "index.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "xvgr.h" #include "gstat.h" #include "gromacs/fileio/trnio.h" diff --git a/src/gromacs/gmxana/gmx_bar.c b/src/gromacs/gmxana/gmx_bar.c index b692574685..32f0fdb55d 100644 --- a/src/gromacs/gmxana/gmx_bar.c +++ b/src/gromacs/gmxana/gmx_bar.c @@ -50,7 +50,7 @@ #include "macros.h" #include "gromacs/fileio/enxio.h" #include "physics.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "xvgr.h" #include "gmx_ana.h" #include "gromacs/math/utilities.h" diff --git a/src/gromacs/gmxana/gmx_bundle.c b/src/gromacs/gmxana/gmx_bundle.c index 263ed985e4..bc94802117 100644 --- a/src/gromacs/gmxana/gmx_bundle.c +++ b/src/gromacs/gmxana/gmx_bundle.c @@ -55,7 +55,7 @@ #include "physics.h" #include "gmx_ana.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define MAX_ENDS 3 diff --git a/src/gromacs/gmxana/gmx_chi.c b/src/gromacs/gmxana/gmx_chi.c index 9bee8377f2..fca424d0b9 100644 --- a/src/gromacs/gmxana/gmx_chi.c +++ b/src/gromacs/gmxana/gmx_chi.c @@ -42,7 +42,7 @@ #include "gromacs/fileio/confio.h" #include "gromacs/fileio/pdbio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "gstat.h" #include "macros.h" diff --git a/src/gromacs/gmxana/gmx_cluster.c b/src/gromacs/gmxana/gmx_cluster.c index 1e5a9e6d5a..cd5db1018d 100644 --- a/src/gromacs/gmxana/gmx_cluster.c +++ b/src/gromacs/gmxana/gmx_cluster.c @@ -64,7 +64,7 @@ #include "gromacs/linearalgebra/eigensolver.h" #include "gromacs/math/do_fit.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* print to two file pointers at once (i.e. stderr and log) */ static gmx_inline diff --git a/src/gromacs/gmxana/gmx_clustsize.c b/src/gromacs/gmxana/gmx_clustsize.c index d84c79c2d8..544ab6e143 100644 --- a/src/gromacs/gmxana/gmx_clustsize.c +++ b/src/gromacs/gmxana/gmx_clustsize.c @@ -63,7 +63,7 @@ #include "mtop_util.h" #include "gmx_ana.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void clust_size(const char *ndx, const char *trx, const char *xpm, const char *xpmw, const char *ncl, const char *acl, diff --git a/src/gromacs/gmxana/gmx_confrms.c b/src/gromacs/gmxana/gmx_confrms.c index 4b9391fd1f..5d087c9683 100644 --- a/src/gromacs/gmxana/gmx_confrms.c +++ b/src/gromacs/gmxana/gmx_confrms.c @@ -51,7 +51,7 @@ #include "vec.h" #include "index.h" #include "pbc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "gromacs/fileio/confio.h" #include "gromacs/fileio/pdbio.h" diff --git a/src/gromacs/gmxana/gmx_covar.c b/src/gromacs/gmxana/gmx_covar.c index 501597e9ac..d56d37b76c 100644 --- a/src/gromacs/gmxana/gmx_covar.c +++ b/src/gromacs/gmxana/gmx_covar.c @@ -70,7 +70,7 @@ #include "gromacs/linearalgebra/eigensolver.h" #include "gromacs/math/do_fit.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" int gmx_covar(int argc, char *argv[]) { diff --git a/src/gromacs/gmxana/gmx_current.c b/src/gromacs/gmxana/gmx_current.c index c706b40be5..14be9bc5a8 100644 --- a/src/gromacs/gmxana/gmx_current.c +++ b/src/gromacs/gmxana/gmx_current.c @@ -51,7 +51,7 @@ #include "gmx_ana.h" #include "macros.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define SQR(x) (pow(x, 2.0)) #define EPSI0 (EPSILON0*E_CHARGE*E_CHARGE*AVOGADRO/(KILO*NANO)) /* EPSILON0 in SI units */ diff --git a/src/gromacs/gmxana/gmx_density.c b/src/gromacs/gmxana/gmx_density.c index a6b89c7b05..6d027dab8f 100644 --- a/src/gromacs/gmxana/gmx_density.c +++ b/src/gromacs/gmxana/gmx_density.c @@ -59,7 +59,7 @@ #include "gmx_ana.h" #include "macros.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct { char *atomname; diff --git a/src/gromacs/gmxana/gmx_densmap.c b/src/gromacs/gmxana/gmx_densmap.c index 8675a16435..078691e28b 100644 --- a/src/gromacs/gmxana/gmx_densmap.c +++ b/src/gromacs/gmxana/gmx_densmap.c @@ -62,7 +62,7 @@ #include "pbc.h" #include "gmx_ana.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" int gmx_densmap(int argc, char *argv[]) { diff --git a/src/gromacs/gmxana/gmx_densorder.cpp b/src/gromacs/gmxana/gmx_densorder.cpp index 16f98c0c03..7b90e24824 100644 --- a/src/gromacs/gmxana/gmx_densorder.cpp +++ b/src/gromacs/gmxana/gmx_densorder.cpp @@ -63,7 +63,7 @@ #include "copyrite.h" #include "gromacs/utility/exceptions.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/programcontext.h" #ifdef GMX_DOUBLE diff --git a/src/gromacs/gmxana/gmx_dielectric.c b/src/gromacs/gmxana/gmx_dielectric.c index 13faf8be96..e6b84fbadb 100644 --- a/src/gromacs/gmxana/gmx_dielectric.c +++ b/src/gromacs/gmxana/gmx_dielectric.c @@ -50,7 +50,7 @@ #include "xvgr.h" #include "correl.h" #include "gmx_ana.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "gromacs/math/gmxcomplex.h" diff --git a/src/gromacs/gmxana/gmx_dipoles.cpp b/src/gromacs/gmxana/gmx_dipoles.cpp index 11c2328b6c..cb3ea8f396 100644 --- a/src/gromacs/gmxana/gmx_dipoles.cpp +++ b/src/gromacs/gmxana/gmx_dipoles.cpp @@ -67,7 +67,7 @@ #include "gromacs/linearalgebra/nrjac.h" #include "gromacs/utility/exceptions.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/programcontext.h" #define e2d(x) ENM2DEBYE*(x) diff --git a/src/gromacs/gmxana/gmx_disre.c b/src/gromacs/gmxana/gmx_disre.c index eb41e31899..84ebace731 100644 --- a/src/gromacs/gmxana/gmx_disre.c +++ b/src/gromacs/gmxana/gmx_disre.c @@ -65,7 +65,7 @@ #include "gmx_ana.h" #include "gromacs/math/do_fit.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct { int n; diff --git a/src/gromacs/gmxana/gmx_do_dssp.c b/src/gromacs/gmxana/gmx_do_dssp.c index 9f99010653..7098fbc2b8 100644 --- a/src/gromacs/gmxana/gmx_do_dssp.c +++ b/src/gromacs/gmxana/gmx_do_dssp.c @@ -47,7 +47,7 @@ #include "mshift.h" #include "gromacs/commandline/pargs.h" #include "gromacs/fileio/pdbio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "xvgr.h" #include "gromacs/fileio/matio.h" #include "index.h" diff --git a/src/gromacs/gmxana/gmx_dos.c b/src/gromacs/gmxana/gmx_dos.c index 8d5438c3fb..578beaedc0 100644 --- a/src/gromacs/gmxana/gmx_dos.c +++ b/src/gromacs/gmxana/gmx_dos.c @@ -40,7 +40,7 @@ #include "gromacs/fileio/confio.h" #include "copyrite.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "gstat.h" #include "macros.h" diff --git a/src/gromacs/gmxana/gmx_dyecoupl.c b/src/gromacs/gmxana/gmx_dyecoupl.c index 5eebeb1232..30d2ba1943 100644 --- a/src/gromacs/gmxana/gmx_dyecoupl.c +++ b/src/gromacs/gmxana/gmx_dyecoupl.c @@ -42,7 +42,7 @@ #include "xvgr.h" #include "gromacs/fileio/trxio.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" int gmx_dyecoupl(int argc, char *argv[]) { diff --git a/src/gromacs/gmxana/gmx_dyndom.c b/src/gromacs/gmxana/gmx_dyndom.c index 65de201a1b..7b1b6c7a1a 100644 --- a/src/gromacs/gmxana/gmx_dyndom.c +++ b/src/gromacs/gmxana/gmx_dyndom.c @@ -43,7 +43,7 @@ #include "gromacs/utility/smalloc.h" #include "index.h" #include "gromacs/fileio/confio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "physics.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/gmx_editconf.c b/src/gromacs/gmxana/gmx_editconf.c index 28adc9e5a2..b4ca3a376a 100644 --- a/src/gromacs/gmxana/gmx_editconf.c +++ b/src/gromacs/gmxana/gmx_editconf.c @@ -63,7 +63,7 @@ #include "rmpbc.h" #include "gmx_ana.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct { diff --git a/src/gromacs/gmxana/gmx_eneconv.c b/src/gromacs/gmxana/gmx_eneconv.c index b0ad9f342e..b789cad7e5 100644 --- a/src/gromacs/gmxana/gmx_eneconv.c +++ b/src/gromacs/gmxana/gmx_eneconv.c @@ -46,7 +46,7 @@ #include "disre.h" #include "names.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/enxio.h" #include "vec.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/gmx_enemat.c b/src/gromacs/gmxana/gmx_enemat.c index f0c7730eb7..f09f1b4897 100644 --- a/src/gromacs/gmxana/gmx_enemat.c +++ b/src/gromacs/gmxana/gmx_enemat.c @@ -42,7 +42,7 @@ #include "gromacs/utility/cstringutil.h" #include "typedefs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "gromacs/utility/smalloc.h" #include "gromacs/fileio/enxio.h" diff --git a/src/gromacs/gmxana/gmx_energy.c b/src/gromacs/gmxana/gmx_energy.c index 38555952e0..3b510e1411 100644 --- a/src/gromacs/gmxana/gmx_energy.c +++ b/src/gromacs/gmxana/gmx_energy.c @@ -42,7 +42,7 @@ #include #include "typedefs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "gromacs/utility/cstringutil.h" #include "gromacs/utility/smalloc.h" diff --git a/src/gromacs/gmxana/gmx_genion.c b/src/gromacs/gmxana/gmx_genion.c index 7e7fbfa5f9..358cc258ea 100644 --- a/src/gromacs/gmxana/gmx_genion.c +++ b/src/gromacs/gmxana/gmx_genion.c @@ -48,7 +48,7 @@ #include "gromacs/commandline/pargs.h" #include "pbc.h" #include "force.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "gromacs/math/utilities.h" #include "macros.h" diff --git a/src/gromacs/gmxana/gmx_genpr.c b/src/gromacs/gmxana/gmx_genpr.c index 6257f6a674..41861705f6 100644 --- a/src/gromacs/gmxana/gmx_genpr.c +++ b/src/gromacs/gmxana/gmx_genpr.c @@ -49,7 +49,7 @@ #include "macros.h" #include "vec.h" #include "index.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gmx_ana.h" int gmx_genpr(int argc, char *argv[]) diff --git a/src/gromacs/gmxana/gmx_gyrate.c b/src/gromacs/gmxana/gmx_gyrate.c index 9ffb8f1051..291ed6d41e 100644 --- a/src/gromacs/gmxana/gmx_gyrate.c +++ b/src/gromacs/gmxana/gmx_gyrate.c @@ -60,7 +60,7 @@ #include "gstat.h" #include "gmx_ana.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" real calc_gyro(rvec x[], int gnx, atom_id index[], t_atom atom[], real tm, rvec gvec, rvec d, gmx_bool bQ, gmx_bool bRot, gmx_bool bMOI, matrix trans) diff --git a/src/gromacs/gmxana/gmx_h2order.c b/src/gromacs/gmxana/gmx_h2order.c index 697fb54d7c..ffd7c1f182 100644 --- a/src/gromacs/gmxana/gmx_h2order.c +++ b/src/gromacs/gmxana/gmx_h2order.c @@ -56,7 +56,7 @@ #include "gmx_ana.h" #include "gromacs/fileio/trxio.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /****************************************************************************/ /* This program calculates the ordering of water molecules across a box, as */ diff --git a/src/gromacs/gmxana/gmx_hbond.c b/src/gromacs/gmxana/gmx_hbond.c index a9b8942786..2665acb307 100644 --- a/src/gromacs/gmxana/gmx_hbond.c +++ b/src/gromacs/gmxana/gmx_hbond.c @@ -47,7 +47,7 @@ #include "txtdump.h" #include "physics.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "index.h" #include "gromacs/utility/smalloc.h" #include "vec.h" diff --git a/src/gromacs/gmxana/gmx_helix.c b/src/gromacs/gmxana/gmx_helix.c index 78a0200048..7b0bca8ff5 100644 --- a/src/gromacs/gmxana/gmx_helix.c +++ b/src/gromacs/gmxana/gmx_helix.c @@ -41,7 +41,7 @@ #include #include "gromacs/fileio/confio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "fitahx.h" #include "gromacs/fileio/futil.h" #include "gstat.h" diff --git a/src/gromacs/gmxana/gmx_helixorient.c b/src/gromacs/gmxana/gmx_helixorient.c index 9810472336..523e8f39fd 100644 --- a/src/gromacs/gmxana/gmx_helixorient.c +++ b/src/gromacs/gmxana/gmx_helixorient.c @@ -48,7 +48,7 @@ #include "vec.h" #include "index.h" #include "pbc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gstat.h" #include "pbc.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/gmx_hydorder.c b/src/gromacs/gmxana/gmx_hydorder.c index d9bbed9bad..24205fce4e 100644 --- a/src/gromacs/gmxana/gmx_hydorder.c +++ b/src/gromacs/gmxana/gmx_hydorder.c @@ -57,7 +57,7 @@ #include "binsearch.h" #include "powerspect.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* Print name of first atom in all groups in index file */ static void print_types(atom_id index[], atom_id a[], int ngrps, diff --git a/src/gromacs/gmxana/gmx_make_edi.c b/src/gromacs/gmxana/gmx_make_edi.c index ace4812aec..4a230dfda2 100644 --- a/src/gromacs/gmxana/gmx_make_edi.c +++ b/src/gromacs/gmxana/gmx_make_edi.c @@ -50,7 +50,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "pbc.h" #include "gromacs/fileio/futil.h" diff --git a/src/gromacs/gmxana/gmx_make_ndx.c b/src/gromacs/gmxana/gmx_make_ndx.c index 7c8f276f97..e382bf54c2 100644 --- a/src/gromacs/gmxana/gmx_make_ndx.c +++ b/src/gromacs/gmxana/gmx_make_ndx.c @@ -53,7 +53,7 @@ #include "vec.h" #include "index.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define MAXNAMES 30 #define NAME_LEN 30 diff --git a/src/gromacs/gmxana/gmx_mdmat.c b/src/gromacs/gmxana/gmx_mdmat.c index 09900e1ff4..d0c33307f6 100644 --- a/src/gromacs/gmxana/gmx_mdmat.c +++ b/src/gromacs/gmxana/gmx_mdmat.c @@ -48,7 +48,7 @@ #include "gromacs/fileio/filenm.h" #include "gromacs/commandline/pargs.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "gromacs/fileio/matio.h" #include "xvgr.h" diff --git a/src/gromacs/gmxana/gmx_mk_angndx.c b/src/gromacs/gmxana/gmx_mk_angndx.c index 9e684f300d..420444fe37 100644 --- a/src/gromacs/gmxana/gmx_mk_angndx.c +++ b/src/gromacs/gmxana/gmx_mk_angndx.c @@ -44,7 +44,7 @@ #include "gromacs/commandline/pargs.h" #include "macros.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/trxio.h" static int calc_ntype(int nft, int *ft, t_idef *idef) diff --git a/src/gromacs/gmxana/gmx_morph.c b/src/gromacs/gmxana/gmx_morph.c index 38c4fa1143..4210b9a2bc 100644 --- a/src/gromacs/gmxana/gmx_morph.c +++ b/src/gromacs/gmxana/gmx_morph.c @@ -45,7 +45,7 @@ #include "xvgr.h" #include "index.h" #include "gmx_ana.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/trxio.h" #include "gromacs/math/do_fit.h" diff --git a/src/gromacs/gmxana/gmx_msd.c b/src/gromacs/gmxana/gmx_msd.c index d73f262606..8f39a411d2 100644 --- a/src/gromacs/gmxana/gmx_msd.c +++ b/src/gromacs/gmxana/gmx_msd.c @@ -59,7 +59,7 @@ #include "gromacs/fileio/confio.h" #include "gmx_ana.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define FACTOR 1000.0 /* Convert nm^2/ps to 10e-5 cm^2/s */ /* NORMAL = total diffusion coefficient (default). X,Y,Z is diffusion diff --git a/src/gromacs/gmxana/gmx_nmens.c b/src/gromacs/gmxana/gmx_nmens.c index e41ca0dd41..a8abbc8c38 100644 --- a/src/gromacs/gmxana/gmx_nmens.c +++ b/src/gromacs/gmxana/gmx_nmens.c @@ -46,7 +46,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "gromacs/fileio/futil.h" #include "index.h" diff --git a/src/gromacs/gmxana/gmx_nmtraj.c b/src/gromacs/gmxana/gmx_nmtraj.c index 10ec827609..2086144387 100644 --- a/src/gromacs/gmxana/gmx_nmtraj.c +++ b/src/gromacs/gmxana/gmx_nmtraj.c @@ -46,7 +46,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "gromacs/fileio/futil.h" #include "index.h" diff --git a/src/gromacs/gmxana/gmx_order.c b/src/gromacs/gmxana/gmx_order.c index 98dd186599..ca83401731 100644 --- a/src/gromacs/gmxana/gmx_order.c +++ b/src/gromacs/gmxana/gmx_order.c @@ -58,7 +58,7 @@ #include "cmat.h" #include "gmx_ana.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /****************************************************************************/ /* This program calculates the order parameter per atom for an interface or */ diff --git a/src/gromacs/gmxana/gmx_pme_error.cpp b/src/gromacs/gmxana/gmx_pme_error.cpp index 3d4766ca1a..e079ba526d 100644 --- a/src/gromacs/gmxana/gmx_pme_error.cpp +++ b/src/gromacs/gmxana/gmx_pme_error.cpp @@ -54,7 +54,7 @@ #include "main.h" #include "macros.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* We use the same defines as in mvdata.c here */ #define block_bc(cr, d) gmx_bcast( sizeof(d), &(d), (cr)) diff --git a/src/gromacs/gmxana/gmx_potential.c b/src/gromacs/gmxana/gmx_potential.c index 29fa31584b..806571f2c0 100644 --- a/src/gromacs/gmxana/gmx_potential.c +++ b/src/gromacs/gmxana/gmx_potential.c @@ -58,7 +58,7 @@ #include "gromacs/utility/cstringutil.h" #include "gromacs/fileio/trxio.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define EPS0 8.85419E-12 #define ELC 1.60219E-19 diff --git a/src/gromacs/gmxana/gmx_rdf.c b/src/gromacs/gmxana/gmx_rdf.c index 22234f91cc..8d566b8bf5 100644 --- a/src/gromacs/gmxana/gmx_rdf.c +++ b/src/gromacs/gmxana/gmx_rdf.c @@ -62,7 +62,7 @@ #include "gmx_ana.h" #include "names.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void check_box_c(matrix box) { diff --git a/src/gromacs/gmxana/gmx_rms.c b/src/gromacs/gmxana/gmx_rms.c index 13aeb6c807..49b55c004d 100644 --- a/src/gromacs/gmxana/gmx_rms.c +++ b/src/gromacs/gmxana/gmx_rms.c @@ -47,7 +47,7 @@ #include "gromacs/commandline/pargs.h" #include "vec.h" #include "index.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "princ.h" #include "rmpbc.h" diff --git a/src/gromacs/gmxana/gmx_rotacf.c b/src/gromacs/gmxana/gmx_rotacf.c index b540f38d2c..9c5f266794 100644 --- a/src/gromacs/gmxana/gmx_rotacf.c +++ b/src/gromacs/gmxana/gmx_rotacf.c @@ -48,7 +48,7 @@ #include "gromacs/commandline/pargs.h" #include "index.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "xvgr.h" #include "gstat.h" #include "vec.h" diff --git a/src/gromacs/gmxana/gmx_saltbr.c b/src/gromacs/gmxana/gmx_saltbr.c index 90c69cdf32..e9b8cd3636 100644 --- a/src/gromacs/gmxana/gmx_saltbr.c +++ b/src/gromacs/gmxana/gmx_saltbr.c @@ -48,13 +48,13 @@ #include "gromacs/fileio/trxio.h" #include "gromacs/commandline/pargs.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "pbc.h" #include "xvgr.h" #include "gmx_ana.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct { char *label; diff --git a/src/gromacs/gmxana/gmx_sans.c b/src/gromacs/gmxana/gmx_sans.c index 68904bcdca..7677d62acf 100644 --- a/src/gromacs/gmxana/gmx_sans.c +++ b/src/gromacs/gmxana/gmx_sans.c @@ -55,7 +55,7 @@ #include "gromacs/fileio/matio.h" #include "gromacs/fileio/tpxio.h" #include "gromacs/fileio/trxio.h" -#include "gromacs/legacyheaders/gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/gmxomp.h" int gmx_sans(int argc, char *argv[]) diff --git a/src/gromacs/gmxana/gmx_sham.c b/src/gromacs/gmxana/gmx_sham.c index 9d670c4897..32d4263eda 100644 --- a/src/gromacs/gmxana/gmx_sham.c +++ b/src/gromacs/gmxana/gmx_sham.c @@ -44,7 +44,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "gromacs/fileio/futil.h" #include "readinp.h" diff --git a/src/gromacs/gmxana/gmx_sorient.c b/src/gromacs/gmxana/gmx_sorient.c index 8ad45f3f38..def8b8f6ec 100644 --- a/src/gromacs/gmxana/gmx_sorient.c +++ b/src/gromacs/gmxana/gmx_sorient.c @@ -50,7 +50,7 @@ #include "gromacs/fileio/trxio.h" #include "gmx_ana.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void calc_com_pbc(int nrefat, t_topology *top, rvec x[], t_pbc *pbc, atom_id index[], rvec xref, gmx_bool bPBC) diff --git a/src/gromacs/gmxana/gmx_spol.c b/src/gromacs/gmxana/gmx_spol.c index b4734d79d5..ff06395b4e 100644 --- a/src/gromacs/gmxana/gmx_spol.c +++ b/src/gromacs/gmxana/gmx_spol.c @@ -51,7 +51,7 @@ #include "physics.h" #include "gmx_ana.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void calc_com_pbc(int nrefat, t_topology *top, rvec x[], t_pbc *pbc, atom_id index[], rvec xref, int ePBC) diff --git a/src/gromacs/gmxana/gmx_tcaf.c b/src/gromacs/gmxana/gmx_tcaf.c index 15738d8c4f..a8584ed851 100644 --- a/src/gromacs/gmxana/gmx_tcaf.c +++ b/src/gromacs/gmxana/gmx_tcaf.c @@ -41,7 +41,7 @@ #include #include "gromacs/fileio/confio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "gstat.h" #include "macros.h" diff --git a/src/gromacs/gmxana/gmx_traj.c b/src/gromacs/gmxana/gmx_traj.c index 29f1bd49c3..2beec11833 100644 --- a/src/gromacs/gmxana/gmx_traj.c +++ b/src/gromacs/gmxana/gmx_traj.c @@ -59,7 +59,7 @@ #include "gmx_ana.h" #include "gromacs/linearalgebra/nrjac.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void low_print_data(FILE *fp, real time, rvec x[], int n, atom_id *index, gmx_bool bDim[], const char *sffmt) diff --git a/src/gromacs/gmxana/gmx_trjcat.c b/src/gromacs/gmxana/gmx_trjcat.c index 629f221d0b..ec3966c18c 100644 --- a/src/gromacs/gmxana/gmx_trjcat.c +++ b/src/gromacs/gmxana/gmx_trjcat.c @@ -63,7 +63,7 @@ #include "xvgr.h" #include "gmx_ana.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define TIME_EXPLICIT 0 #define TIME_CONTINUE 1 diff --git a/src/gromacs/gmxana/gmx_trjconv.c b/src/gromacs/gmxana/gmx_trjconv.c index 48f4560bd1..3f12536c76 100644 --- a/src/gromacs/gmxana/gmx_trjconv.c +++ b/src/gromacs/gmxana/gmx_trjconv.c @@ -66,7 +66,7 @@ #include "gmx_ana.h" #include "gromacs/math/do_fit.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #ifdef HAVE_UNISTD_H #include diff --git a/src/gromacs/gmxana/gmx_trjorder.c b/src/gromacs/gmxana/gmx_trjorder.c index 6b357e1b80..9b4cfe3ea1 100644 --- a/src/gromacs/gmxana/gmx_trjorder.c +++ b/src/gromacs/gmxana/gmx_trjorder.c @@ -58,7 +58,7 @@ #include "gromacs/fileio/trxio.h" #include "gmx_ana.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct { atom_id i; diff --git a/src/gromacs/gmxana/gmx_tune_pme.c b/src/gromacs/gmxana/gmx_tune_pme.c index b0a7fb80cb..c2a3e40d51 100644 --- a/src/gromacs/gmxana/gmx_tune_pme.c +++ b/src/gromacs/gmxana/gmx_tune_pme.c @@ -60,7 +60,7 @@ #include "gromacs/timing/walltime_accounting.h" #include "gromacs/math/utilities.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* Enum for situations that can occur during log file parsing, the * corresponding string entries can be found in do_the_tests() in diff --git a/src/gromacs/gmxana/gmx_velacc.c b/src/gromacs/gmxana/gmx_velacc.c index 77fe30fc3a..fa8eb0966a 100644 --- a/src/gromacs/gmxana/gmx_velacc.c +++ b/src/gromacs/gmxana/gmx_velacc.c @@ -41,7 +41,7 @@ #include #include "gromacs/fileio/confio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "gstat.h" #include "macros.h" diff --git a/src/gromacs/gmxana/gmx_wham.cpp b/src/gromacs/gmxana/gmx_wham.cpp index 6e63e7a5c0..2950d89fdf 100644 --- a/src/gromacs/gmxana/gmx_wham.cpp +++ b/src/gromacs/gmxana/gmx_wham.cpp @@ -65,7 +65,7 @@ #include "gromacs/utility/cstringutil.h" #include "xvgr.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" //! longest file names allowed in input files #define WHAM_MAXFILELEN 2048 diff --git a/src/gromacs/gmxana/gmx_wheel.c b/src/gromacs/gmxana/gmx_wheel.c index d33ebf1abb..93229b0090 100644 --- a/src/gromacs/gmxana/gmx_wheel.c +++ b/src/gromacs/gmxana/gmx_wheel.c @@ -54,7 +54,7 @@ #include "pbc.h" #include "index.h" #include "gstat.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gmx_ana.h" #include "gromacs/commandline/pargs.h" diff --git a/src/gromacs/gmxana/gmx_xpm2ps.c b/src/gromacs/gmxana/gmx_xpm2ps.c index 064e667c3c..7a415a716d 100644 --- a/src/gromacs/gmxana/gmx_xpm2ps.c +++ b/src/gromacs/gmxana/gmx_xpm2ps.c @@ -43,7 +43,7 @@ #include #include "typedefs.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "viewit.h" #include "gmx_ana.h" diff --git a/src/gromacs/gmxana/hxprops.c b/src/gromacs/gmxana/hxprops.c index ee949e9c4d..531aa92c3f 100644 --- a/src/gromacs/gmxana/hxprops.c +++ b/src/gromacs/gmxana/hxprops.c @@ -50,7 +50,7 @@ #include "gromacs/utility/smalloc.h" #include "bondf.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" real ellipticity(int nres, t_bb bb[]) { diff --git a/src/gromacs/gmxana/nrama.c b/src/gromacs/gmxana/nrama.c index e20501f7df..f7a295b19a 100644 --- a/src/gromacs/gmxana/nrama.c +++ b/src/gromacs/gmxana/nrama.c @@ -45,7 +45,7 @@ #include "typedefs.h" #include "bondf.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "rmpbc.h" static const char *pp_pat[] = { "C", "N", "CA", "C", "N" }; diff --git a/src/gromacs/gmxana/nsfactor.c b/src/gromacs/gmxana/nsfactor.c index 4b15a573c9..2997d54edb 100644 --- a/src/gromacs/gmxana/nsfactor.c +++ b/src/gromacs/gmxana/nsfactor.c @@ -46,7 +46,7 @@ #include "gromacs/fileio/futil.h" #include "gromacs/fileio/strdb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/gmxomp.h" void check_binwidth(real binwidth) diff --git a/src/gromacs/gmxana/polynomials.c b/src/gromacs/gmxana/polynomials.c index de47f1aa7a..4b739cc29f 100644 --- a/src/gromacs/gmxana/polynomials.c +++ b/src/gromacs/gmxana/polynomials.c @@ -3,7 +3,7 @@ * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team. - * Copyright (c) 2013, by the GROMACS development team, led by + * Copyright (c) 2013,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -41,7 +41,7 @@ #include #include #include "typedefs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gstat.h" real LegendreP(real x, unsigned long m) diff --git a/src/gromacs/gmxana/powerspect.c b/src/gromacs/gmxana/powerspect.c index 06e7d94cae..1c2be272cc 100644 --- a/src/gromacs/gmxana/powerspect.c +++ b/src/gromacs/gmxana/powerspect.c @@ -39,7 +39,7 @@ #include "gromacs/utility/smalloc.h" #include "gromacs/fft/fft.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "interf.h" #include "powerspect.h" diff --git a/src/gromacs/gmxana/pp2shift.c b/src/gromacs/gmxana/pp2shift.c index 85e29ac4eb..f97719f908 100644 --- a/src/gromacs/gmxana/pp2shift.c +++ b/src/gromacs/gmxana/pp2shift.c @@ -48,7 +48,7 @@ #include "gstat.h" #include "gromacs/fileio/matio.h" #include "copyrite.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct { int nx, ny; diff --git a/src/gromacs/gmxlib/atomprop.c b/src/gromacs/gmxlib/atomprop.c index c899adceaa..aa89148b86 100644 --- a/src/gromacs/gmxlib/atomprop.c +++ b/src/gromacs/gmxlib/atomprop.c @@ -44,7 +44,7 @@ #include "sysstuff.h" #include "gromacs/utility/smalloc.h" #include "gromacs/utility/cstringutil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "atomprop.h" #include "macros.h" #include "index.h" diff --git a/src/gromacs/gmxlib/bondfree.c b/src/gromacs/gmxlib/bondfree.c index 6d696e93f7..d291fb59d0 100644 --- a/src/gromacs/gmxlib/bondfree.c +++ b/src/gromacs/gmxlib/bondfree.c @@ -50,7 +50,7 @@ #include "ns.h" #include "macros.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "mshift.h" #include "main.h" #include "disre.h" diff --git a/src/gromacs/gmxlib/calcgrid.c b/src/gromacs/gmxlib/calcgrid.c index 3d1e70d909..f9f16ccff1 100644 --- a/src/gromacs/gmxlib/calcgrid.c +++ b/src/gromacs/gmxlib/calcgrid.c @@ -42,7 +42,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "calcgrid.h" /* The grid sizes below are based on timing of a 3D cubic grid in fftw diff --git a/src/gromacs/gmxlib/calch.c b/src/gromacs/gmxlib/calch.c index 397ab2dba8..b28411a5dc 100644 --- a/src/gromacs/gmxlib/calch.c +++ b/src/gromacs/gmxlib/calch.c @@ -44,7 +44,7 @@ #include "vec.h" #include "physics.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define xAI xa[0] #define xAJ xa[1] diff --git a/src/gromacs/gmxlib/chargegroup.c b/src/gromacs/gmxlib/chargegroup.c index 93df8e1a1d..a21357d8fd 100644 --- a/src/gromacs/gmxlib/chargegroup.c +++ b/src/gromacs/gmxlib/chargegroup.c @@ -44,7 +44,7 @@ #include "vec.h" #include "pbc.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "chargegroup.h" diff --git a/src/gromacs/gmxlib/checkpoint.c b/src/gromacs/gmxlib/checkpoint.c index 1dd000c09e..4719f55e2e 100644 --- a/src/gromacs/gmxlib/checkpoint.c +++ b/src/gromacs/gmxlib/checkpoint.c @@ -77,7 +77,7 @@ #include "gromacs/fileio/xdrf.h" #include "gromacs/fileio/xdr_datatype.h" #include "gromacs/utility/baseversion.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "buildinfo.h" diff --git a/src/gromacs/gmxlib/cuda_tools/cudautils.cuh b/src/gromacs/gmxlib/cuda_tools/cudautils.cuh index 2cccc16c67..b48dc29d70 100644 --- a/src/gromacs/gmxlib/cuda_tools/cudautils.cuh +++ b/src/gromacs/gmxlib/cuda_tools/cudautils.cuh @@ -1,7 +1,7 @@ /* * This file is part of the GROMACS molecular simulation package. * - * Copyright (c) 2012, by the GROMACS development team, led by + * Copyright (c) 2012,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -38,7 +38,7 @@ #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* CUDA library and hardware related defines */ /* TODO list some constants instead that can be used for consistency checks to diff --git a/src/gromacs/gmxlib/disre.c b/src/gromacs/gmxlib/disre.c index 061521d9f2..41eb948295 100644 --- a/src/gromacs/gmxlib/disre.c +++ b/src/gromacs/gmxlib/disre.c @@ -48,7 +48,7 @@ #include "vec.h" #include "gromacs/fileio/futil.h" #include "xvgr.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "bondf.h" #include "copyrite.h" #include "disre.h" diff --git a/src/gromacs/gmxlib/gmx_detect_hardware.c b/src/gromacs/gmxlib/gmx_detect_hardware.c index 9aa1105bb3..1bcf866eea 100644 --- a/src/gromacs/gmxlib/gmx_detect_hardware.c +++ b/src/gromacs/gmxlib/gmx_detect_hardware.c @@ -48,7 +48,7 @@ #include "types/enums.h" #include "types/hw_info.h" #include "types/commrec.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gmx_fatal_collective.h" #include "md_logging.h" #include "gmx_cpuid.h" diff --git a/src/gromacs/gmxlib/gmx_omp_nthreads.c b/src/gromacs/gmxlib/gmx_omp_nthreads.c index 4ba9160021..9407bd7f8c 100644 --- a/src/gromacs/gmxlib/gmx_omp_nthreads.c +++ b/src/gromacs/gmxlib/gmx_omp_nthreads.c @@ -42,7 +42,7 @@ #include #endif -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "typedefs.h" #include "macros.h" #include "network.h" diff --git a/src/gromacs/gmxlib/gmx_thread_affinity.c b/src/gromacs/gmxlib/gmx_thread_affinity.c index 9752fb0295..64a68d1fa4 100644 --- a/src/gromacs/gmxlib/gmx_thread_affinity.c +++ b/src/gromacs/gmxlib/gmx_thread_affinity.c @@ -56,7 +56,7 @@ #include "md_logging.h" #include "gmx_thread_affinity.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/gmxomp.h" static int diff --git a/src/gromacs/gmxlib/index.c b/src/gromacs/gmxlib/index.c index 1ac6062a0b..89ebc2f58b 100644 --- a/src/gromacs/gmxlib/index.c +++ b/src/gromacs/gmxlib/index.c @@ -56,7 +56,7 @@ #include "gromacs/fileio/futil.h" #include "gromacs/fileio/gmxfio.h" #include "gromacs/fileio/strdb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" const char gmx_residuetype_undefined[] = "Other"; diff --git a/src/gromacs/gmxlib/inputrec.c b/src/gromacs/gmxlib/inputrec.c index 1ba89ef3aa..c600bd189d 100644 --- a/src/gromacs/gmxlib/inputrec.c +++ b/src/gromacs/gmxlib/inputrec.c @@ -42,7 +42,7 @@ #include "typedefs.h" #include "macros.h" #include "inputrec.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* The minimum number of integration steps required for reasonably accurate diff --git a/src/gromacs/gmxlib/invblock.c b/src/gromacs/gmxlib/invblock.c index 235a1f6c2a..0d9326e3ee 100644 --- a/src/gromacs/gmxlib/invblock.c +++ b/src/gromacs/gmxlib/invblock.c @@ -42,7 +42,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" #include "invblock.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" atom_id *make_invblock(const t_block *block, int nr) { diff --git a/src/gromacs/gmxlib/main.cpp b/src/gromacs/gmxlib/main.cpp index 170c606ac6..c18996504d 100644 --- a/src/gromacs/gmxlib/main.cpp +++ b/src/gromacs/gmxlib/main.cpp @@ -50,7 +50,7 @@ #include "gromacs/utility/smalloc.h" #include "types/commrec.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "network.h" #include "main.h" #include "macros.h" diff --git a/src/gromacs/gmxlib/mshift.c b/src/gromacs/gmxlib/mshift.c index 6b6ad831a2..5f6bb19427 100644 --- a/src/gromacs/gmxlib/mshift.c +++ b/src/gromacs/gmxlib/mshift.c @@ -40,7 +40,7 @@ #include #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "vec.h" #include "gromacs/fileio/futil.h" diff --git a/src/gromacs/gmxlib/mtop_util.c b/src/gromacs/gmxlib/mtop_util.c index 83c615634e..39ffce6d61 100644 --- a/src/gromacs/gmxlib/mtop_util.c +++ b/src/gromacs/gmxlib/mtop_util.c @@ -43,7 +43,7 @@ #include "mtop_util.h" #include "topsort.h" #include "symtab.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static int gmx_mtop_maxresnr(const gmx_mtop_t *mtop, int maxres_renum) { diff --git a/src/gromacs/gmxlib/mvdata.c b/src/gromacs/gmxlib/mvdata.c index 62b8899155..329631ae26 100644 --- a/src/gromacs/gmxlib/mvdata.c +++ b/src/gromacs/gmxlib/mvdata.c @@ -47,7 +47,7 @@ #include "types/commrec.h" #include "network.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "symtab.h" #include "vec.h" #include "tgroup.h" diff --git a/src/gromacs/gmxlib/network.c b/src/gromacs/gmxlib/network.c index 346f8cff30..e01523bdd0 100644 --- a/src/gromacs/gmxlib/network.c +++ b/src/gromacs/gmxlib/network.c @@ -39,7 +39,7 @@ #endif #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "main.h" #include "gromacs/utility/smalloc.h" #include "types/commrec.h" diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.c b/src/gromacs/gmxlib/nonbonded/nb_free_energy.c index 4ed5663833..fe4bd270fc 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.c +++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.c @@ -48,7 +48,7 @@ #include "macros.h" #include "nb_free_energy.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" void gmx_nb_free_energy_kernel(const t_nblist * gmx_restrict nlist, diff --git a/src/gromacs/gmxlib/nonbonded/nb_generic.c b/src/gromacs/gmxlib/nonbonded/nb_generic.c index 4f29311dea..db837244ea 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_generic.c +++ b/src/gromacs/gmxlib/nonbonded/nb_generic.c @@ -46,7 +46,7 @@ #include "nb_generic.h" #include "nrnb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "nonbonded.h" #include "nb_kernel.h" diff --git a/src/gromacs/gmxlib/nonbonded/nb_generic_adress.c b/src/gromacs/gmxlib/nonbonded/nb_generic_adress.c index 10b687b020..97873b8498 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_generic_adress.c +++ b/src/gromacs/gmxlib/nonbonded/nb_generic_adress.c @@ -46,7 +46,7 @@ #include "nb_generic_adress.h" #include "nrnb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "nonbonded.h" #include "nb_kernel.h" diff --git a/src/gromacs/gmxlib/nonbonded/nb_generic_cg.c b/src/gromacs/gmxlib/nonbonded/nb_generic_cg.c index 61198647ea..6d1cfae435 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_generic_cg.c +++ b/src/gromacs/gmxlib/nonbonded/nb_generic_cg.c @@ -48,7 +48,7 @@ #include "nb_kernel.h" #include "nrnb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" void gmx_nb_generic_cg_kernel(t_nblist * nlist, diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel.c b/src/gromacs/gmxlib/nonbonded/nb_kernel.c index b983e314c3..d69c4c09e0 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel.c @@ -43,7 +43,7 @@ #include "nb_kernel.h" #include "gromacs/utility/smalloc.h" #include "gromacs/utility/cstringutil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* Static data structures to find kernels */ diff --git a/src/gromacs/gmxlib/nonbonded/nonbonded.c b/src/gromacs/gmxlib/nonbonded/nonbonded.c index 6a93fff216..f7390de2eb 100644 --- a/src/gromacs/gmxlib/nonbonded/nonbonded.c +++ b/src/gromacs/gmxlib/nonbonded/nonbonded.c @@ -55,7 +55,7 @@ #include "names.h" #include "main.h" #include "xvgr.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "physics.h" #include "force.h" #include "bondf.h" diff --git a/src/gromacs/gmxlib/orires.c b/src/gromacs/gmxlib/orires.c index da920db11d..2741240abc 100644 --- a/src/gromacs/gmxlib/orires.c +++ b/src/gromacs/gmxlib/orires.c @@ -51,7 +51,7 @@ #include "gromacs/linearalgebra/nrjac.h" #include "gromacs/math/do_fit.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" void init_orires(FILE *fplog, const gmx_mtop_t *mtop, rvec xref[], diff --git a/src/gromacs/gmxlib/pbc.c b/src/gromacs/gmxlib/pbc.c index c96eba4f06..cac2dd9cbc 100644 --- a/src/gromacs/gmxlib/pbc.c +++ b/src/gromacs/gmxlib/pbc.c @@ -50,7 +50,7 @@ #include "pbc.h" #include "gromacs/utility/smalloc.h" #include "txtdump.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "names.h" #include "macros.h" #include "gmx_omp_nthreads.h" diff --git a/src/gromacs/gmxlib/readinp.c b/src/gromacs/gmxlib/readinp.c index e7cef773ed..0d3ddb0d19 100644 --- a/src/gromacs/gmxlib/readinp.c +++ b/src/gromacs/gmxlib/readinp.c @@ -49,7 +49,7 @@ #include "gromacs/fileio/gmxfio.h" #include "names.h" #include "warninp.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" t_inpfile *read_inpfile(const char *fn, int *ninp, warninp_t wi) diff --git a/src/gromacs/gmxlib/rmpbc.c b/src/gromacs/gmxlib/rmpbc.c index 1c0e0c9acf..622358b960 100644 --- a/src/gromacs/gmxlib/rmpbc.c +++ b/src/gromacs/gmxlib/rmpbc.c @@ -46,7 +46,7 @@ #include "vec.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" typedef struct { diff --git a/src/gromacs/gmxlib/sfactor.c b/src/gromacs/gmxlib/sfactor.c index 1684a5490b..0f4948ec28 100644 --- a/src/gromacs/gmxlib/sfactor.c +++ b/src/gromacs/gmxlib/sfactor.c @@ -42,7 +42,7 @@ #include "gromacs/utility/smalloc.h" #include "gromacs/fileio/futil.h" #include "gromacs/math/utilities.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "macros.h" #include "index.h" diff --git a/src/gromacs/gmxlib/sighandler.c b/src/gromacs/gmxlib/sighandler.c index 841b43e35e..d42be8a220 100644 --- a/src/gromacs/gmxlib/sighandler.c +++ b/src/gromacs/gmxlib/sighandler.c @@ -3,7 +3,7 @@ * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team. - * Copyright (c) 2012, by the GROMACS development team, led by + * Copyright (c) 2012,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -39,7 +39,7 @@ #endif #include "typedefs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "sighandler.h" diff --git a/src/gromacs/gmxlib/splitter.c b/src/gromacs/gmxlib/splitter.c index 1d98dc2c8d..78e9e479a6 100644 --- a/src/gromacs/gmxlib/splitter.c +++ b/src/gromacs/gmxlib/splitter.c @@ -45,7 +45,7 @@ #include "macros.h" #include "gromacs/utility/smalloc.h" #include "mshift.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct { int atom, sid; diff --git a/src/gromacs/gmxlib/symtab.c b/src/gromacs/gmxlib/symtab.c index 7e9d65a450..66e49cc4a6 100644 --- a/src/gromacs/gmxlib/symtab.c +++ b/src/gromacs/gmxlib/symtab.c @@ -42,7 +42,7 @@ #include #include "sysstuff.h" #include "typedefs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "txtdump.h" #include "symtab.h" diff --git a/src/gromacs/gmxlib/topsort.c b/src/gromacs/gmxlib/topsort.c index 7d1f5e5fb3..0fe9719a7c 100644 --- a/src/gromacs/gmxlib/topsort.c +++ b/src/gromacs/gmxlib/topsort.c @@ -42,7 +42,7 @@ #include "typedefs.h" #include "topsort.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static gmx_bool ip_pert(int ftype, const t_iparams *ip) { diff --git a/src/gromacs/gmxlib/txtdump.c b/src/gromacs/gmxlib/txtdump.c index e1705d20d0..a84e2e4b49 100644 --- a/src/gromacs/gmxlib/txtdump.c +++ b/src/gromacs/gmxlib/txtdump.c @@ -48,7 +48,7 @@ #include "vec.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" int pr_indent(FILE *fp, int n) diff --git a/src/gromacs/gmxlib/viewit.c b/src/gromacs/gmxlib/viewit.c index feb6898642..fe685e43d1 100644 --- a/src/gromacs/gmxlib/viewit.c +++ b/src/gromacs/gmxlib/viewit.c @@ -46,7 +46,7 @@ #include "gromacs/utility/cstringutil.h" #include "gromacs/fileio/filenm.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static const int can_view_ftp[] = { 0, diff --git a/src/gromacs/gmxlib/warninp.c b/src/gromacs/gmxlib/warninp.c index 0e18160c6b..d7a8b10ca3 100644 --- a/src/gromacs/gmxlib/warninp.c +++ b/src/gromacs/gmxlib/warninp.c @@ -43,7 +43,7 @@ #include "gromacs/utility/smalloc.h" #include "copyrite.h" #include "gromacs/utility/cstringutil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "warninp.h" typedef struct warninp { diff --git a/src/gromacs/gmxlib/xvgr.cpp b/src/gromacs/gmxlib/xvgr.cpp index 11e362ebeb..708816f334 100644 --- a/src/gromacs/gmxlib/xvgr.cpp +++ b/src/gromacs/gmxlib/xvgr.cpp @@ -58,7 +58,7 @@ #include "gromacs/fileio/gmxfio.h" #include "gromacs/utility/exceptions.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/programcontext.h" gmx_bool output_env_get_print_xvgr_codes(const output_env_t oenv) diff --git a/src/gromacs/gmxpreprocess/add_par.c b/src/gromacs/gmxpreprocess/add_par.c index 429e78849c..85bbd465c2 100644 --- a/src/gromacs/gmxpreprocess/add_par.c +++ b/src/gromacs/gmxpreprocess/add_par.c @@ -47,7 +47,7 @@ #include "toputil.h" #include "hackblock.h" #include "gromacs/utility/cstringutil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void clear_atom_list(int i0, atom_id a[]) { diff --git a/src/gromacs/gmxpreprocess/calc_verletbuf.c b/src/gromacs/gmxpreprocess/calc_verletbuf.c index a96bd0679e..a506e9b1ce 100644 --- a/src/gromacs/gmxpreprocess/calc_verletbuf.c +++ b/src/gromacs/gmxpreprocess/calc_verletbuf.c @@ -43,7 +43,7 @@ #include "typedefs.h" #include "physics.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "vec.h" #include "coulomb.h" diff --git a/src/gromacs/gmxpreprocess/convparm.c b/src/gromacs/gmxpreprocess/convparm.c index fb97126e25..08f3b98fff 100644 --- a/src/gromacs/gmxpreprocess/convparm.c +++ b/src/gromacs/gmxpreprocess/convparm.c @@ -47,7 +47,7 @@ #include "vec.h" #include "gromacs/utility/smalloc.h" #include "typedefs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "topio.h" #include "toputil.h" #include "convparm.h" diff --git a/src/gromacs/gmxpreprocess/fflibutil.cpp b/src/gromacs/gmxpreprocess/fflibutil.cpp index f1cdf02aa3..f41bf90e37 100644 --- a/src/gromacs/gmxpreprocess/fflibutil.cpp +++ b/src/gromacs/gmxpreprocess/fflibutil.cpp @@ -44,7 +44,7 @@ #include #include "sysstuff.h" #include "network.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #ifdef HAVE_UNISTD_H diff --git a/src/gromacs/gmxpreprocess/gen_ad.c b/src/gromacs/gmxpreprocess/gen_ad.c index 7e8bfad88c..f4c7fb32b0 100644 --- a/src/gromacs/gmxpreprocess/gen_ad.c +++ b/src/gromacs/gmxpreprocess/gen_ad.c @@ -55,7 +55,7 @@ #include "gpp_nextnb.h" #include "symtab.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "pgutil.h" #include "resall.h" #include "gen_ad.h" diff --git a/src/gromacs/gmxpreprocess/gen_vsite.c b/src/gromacs/gmxpreprocess/gen_vsite.c index 4afe493cb3..c797392be3 100644 --- a/src/gromacs/gmxpreprocess/gen_vsite.c +++ b/src/gromacs/gmxpreprocess/gen_vsite.c @@ -57,7 +57,7 @@ #include "fflibutil.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define MAXNAME 32 #define OPENDIR '[' /* starting sign for directive */ diff --git a/src/gromacs/gmxpreprocess/genconf.c b/src/gromacs/gmxpreprocess/genconf.c index 52b7b048b3..b459283c5e 100644 --- a/src/gromacs/gmxpreprocess/genconf.c +++ b/src/gromacs/gmxpreprocess/genconf.c @@ -51,7 +51,7 @@ #include "sortwater.h" #include "gromacs/fileio/trxio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void rand_rot(int natoms, rvec x[], rvec v[], vec4 xrot[], vec4 vrot[], gmx_rng_t rng, rvec max_rot) diff --git a/src/gromacs/gmxpreprocess/genhydro.c b/src/gromacs/gmxpreprocess/genhydro.c index afcadb43b4..55940aed9a 100644 --- a/src/gromacs/gmxpreprocess/genhydro.c +++ b/src/gromacs/gmxpreprocess/genhydro.c @@ -48,7 +48,7 @@ #include "symtab.h" #include "vec.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "physics.h" #include "calch.h" #include "genhydro.h" diff --git a/src/gromacs/gmxpreprocess/gmxcpp.c b/src/gromacs/gmxpreprocess/gmxcpp.c index d9265d4831..733ee51da4 100644 --- a/src/gromacs/gmxpreprocess/gmxcpp.c +++ b/src/gromacs/gmxpreprocess/gmxcpp.c @@ -51,7 +51,7 @@ #include "gromacs/utility/smalloc.h" #include "gromacs/fileio/futil.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gmxcpp.h" typedef struct { diff --git a/src/gromacs/gmxpreprocess/gpp_atomtype.c b/src/gromacs/gmxpreprocess/gpp_atomtype.c index 31a39aec15..481ee8a15c 100644 --- a/src/gromacs/gmxpreprocess/gpp_atomtype.c +++ b/src/gromacs/gmxpreprocess/gpp_atomtype.c @@ -49,7 +49,7 @@ #include "topdirs.h" #include "toputil.h" #include "symtab.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "txtdump.h" #include "gpp_atomtype.h" diff --git a/src/gromacs/gmxpreprocess/gpp_nextnb.c b/src/gromacs/gmxpreprocess/gpp_nextnb.c index b90c822742..d50ef4c6e6 100644 --- a/src/gromacs/gmxpreprocess/gpp_nextnb.c +++ b/src/gromacs/gmxpreprocess/gpp_nextnb.c @@ -44,7 +44,7 @@ #include "macros.h" /* #define DEBUG_NNB */ #include "gpp_nextnb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "toputil.h" typedef struct { diff --git a/src/gromacs/gmxpreprocess/grompp.c b/src/gromacs/gmxpreprocess/grompp.c index 872c670990..808898cfbd 100644 --- a/src/gromacs/gmxpreprocess/grompp.c +++ b/src/gromacs/gmxpreprocess/grompp.c @@ -66,7 +66,7 @@ #include "splitter.h" #include "gromacs/gmxpreprocess/sortwater.h" #include "convparm.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "warninp.h" #include "index.h" #include "gromacs/fileio/gmxfio.h" diff --git a/src/gromacs/gmxpreprocess/h_db.c b/src/gromacs/gmxpreprocess/h_db.c index 25ec285e06..aa2e0fa221 100644 --- a/src/gromacs/gmxpreprocess/h_db.c +++ b/src/gromacs/gmxpreprocess/h_db.c @@ -48,7 +48,7 @@ #include "h_db.h" #include "gromacs/fileio/gmxfio.h" #include "fflibutil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" /* Number of control atoms for each 'add' type. diff --git a/src/gromacs/gmxpreprocess/hizzie.c b/src/gromacs/gmxpreprocess/hizzie.c index 4274d77988..0bb9e1873c 100644 --- a/src/gromacs/gmxpreprocess/hizzie.c +++ b/src/gromacs/gmxpreprocess/hizzie.c @@ -51,7 +51,7 @@ #include "gromacs/utility/cstringutil.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static int in_strings(char *key, int nstr, const char **str) { diff --git a/src/gromacs/gmxpreprocess/insert-molecules.cpp b/src/gromacs/gmxpreprocess/insert-molecules.cpp index c60b4d0d03..b240cda303 100644 --- a/src/gromacs/gmxpreprocess/insert-molecules.cpp +++ b/src/gromacs/gmxpreprocess/insert-molecules.cpp @@ -52,7 +52,7 @@ #include "atomprop.h" #include "names.h" #include "vec.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/commandline/pargs.h" #include "gromacs/gmxlib/conformation-utilities.h" #include "addconf.h" diff --git a/src/gromacs/gmxpreprocess/nm2type.c b/src/gromacs/gmxpreprocess/nm2type.c index e9dd3961f1..8edd20ed5e 100644 --- a/src/gromacs/gmxpreprocess/nm2type.c +++ b/src/gromacs/gmxpreprocess/nm2type.c @@ -62,7 +62,7 @@ #include "nm2type.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void rd_nm2type_file(const char *fn, int *nnm, t_nm2type **nmp) { diff --git a/src/gromacs/gmxpreprocess/pdb2gmx.c b/src/gromacs/gmxpreprocess/pdb2gmx.c index b8686eefef..827340c5e8 100644 --- a/src/gromacs/gmxpreprocess/pdb2gmx.c +++ b/src/gromacs/gmxpreprocess/pdb2gmx.c @@ -55,7 +55,7 @@ #include "vec.h" #include "gromacs/commandline/pargs.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/pdbio.h" #include "toputil.h" #include "h_db.h" diff --git a/src/gromacs/gmxpreprocess/pdb2top.cpp b/src/gromacs/gmxpreprocess/pdb2top.cpp index 2110a4b32e..804527e556 100644 --- a/src/gromacs/gmxpreprocess/pdb2top.cpp +++ b/src/gromacs/gmxpreprocess/pdb2top.cpp @@ -47,7 +47,7 @@ #include "macros.h" #include "symtab.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "pdb2top.h" #include "gpp_nextnb.h" #include "topdirs.h" diff --git a/src/gromacs/gmxpreprocess/pgutil.c b/src/gromacs/gmxpreprocess/pgutil.c index 80088875f8..c9ad5fd276 100644 --- a/src/gromacs/gmxpreprocess/pgutil.c +++ b/src/gromacs/gmxpreprocess/pgutil.c @@ -42,7 +42,7 @@ #include "gromacs/utility/cstringutil.h" #include "pgutil.h" #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define BUFSIZE 1024 static void atom_not_found(int fatal_errno, const char *file, int line, diff --git a/src/gromacs/gmxpreprocess/protonate.c b/src/gromacs/gmxpreprocess/protonate.c index 38bf7cdc97..ebd539a7f8 100644 --- a/src/gromacs/gmxpreprocess/protonate.c +++ b/src/gromacs/gmxpreprocess/protonate.c @@ -54,7 +54,7 @@ #include "vec.h" #include "hackblock.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" int gmx_protonate(int argc, char *argv[]) { diff --git a/src/gromacs/gmxpreprocess/readadress.c b/src/gromacs/gmxpreprocess/readadress.c index 7f36684844..f8aa8b6971 100644 --- a/src/gromacs/gmxpreprocess/readadress.c +++ b/src/gromacs/gmxpreprocess/readadress.c @@ -39,7 +39,7 @@ #include "readir.h" #include "names.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define MAXPTR 254 diff --git a/src/gromacs/gmxpreprocess/readir.c b/src/gromacs/gmxpreprocess/readir.c index 19f9411761..e170db8756 100644 --- a/src/gromacs/gmxpreprocess/readir.c +++ b/src/gromacs/gmxpreprocess/readir.c @@ -46,7 +46,7 @@ #include "typedefs.h" #include "physics.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "index.h" #include "symtab.h" diff --git a/src/gromacs/gmxpreprocess/readpull.c b/src/gromacs/gmxpreprocess/readpull.c index c23aa35668..b208d7fe59 100644 --- a/src/gromacs/gmxpreprocess/readpull.c +++ b/src/gromacs/gmxpreprocess/readpull.c @@ -49,7 +49,7 @@ #include "gromacs/utility/smalloc.h" #include "typedefs.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "index.h" #include "symtab.h" diff --git a/src/gromacs/gmxpreprocess/readrot.c b/src/gromacs/gmxpreprocess/readrot.c index cc25957b1a..43ca16add8 100644 --- a/src/gromacs/gmxpreprocess/readrot.c +++ b/src/gromacs/gmxpreprocess/readrot.c @@ -46,7 +46,7 @@ #include "gromacs/fileio/trnio.h" #include "txtdump.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static char *RotStr = {"Enforced rotation:"}; diff --git a/src/gromacs/gmxpreprocess/resall.c b/src/gromacs/gmxpreprocess/resall.c index 91aa32613a..5ccece8744 100644 --- a/src/gromacs/gmxpreprocess/resall.c +++ b/src/gromacs/gmxpreprocess/resall.c @@ -45,7 +45,7 @@ #include "gromacs/utility/cstringutil.h" #include "gromacs/fileio/futil.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "symtab.h" #include "macros.h" #include "resall.h" diff --git a/src/gromacs/gmxpreprocess/solvate.cpp b/src/gromacs/gmxpreprocess/solvate.cpp index 27623f165e..eaa59b6087 100644 --- a/src/gromacs/gmxpreprocess/solvate.cpp +++ b/src/gromacs/gmxpreprocess/solvate.cpp @@ -52,7 +52,7 @@ #include "atomprop.h" #include "names.h" #include "vec.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/commandline/pargs.h" #include "gromacs/gmxlib/conformation-utilities.h" #include "addconf.h" diff --git a/src/gromacs/gmxpreprocess/ter_db.c b/src/gromacs/gmxpreprocess/ter_db.c index 09758f8e3b..43a1b49c30 100644 --- a/src/gromacs/gmxpreprocess/ter_db.c +++ b/src/gromacs/gmxpreprocess/ter_db.c @@ -49,7 +49,7 @@ #include "resall.h" #include "h_db.h" #include "gromacs/utility/cstringutil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "ter_db.h" #include "toputil.h" #include "gromacs/fileio/gmxfio.h" diff --git a/src/gromacs/gmxpreprocess/tomorse.c b/src/gromacs/gmxpreprocess/tomorse.c index 5bcf84f737..7472af9326 100644 --- a/src/gromacs/gmxpreprocess/tomorse.c +++ b/src/gromacs/gmxpreprocess/tomorse.c @@ -50,7 +50,7 @@ #include "gromacs/fileio/futil.h" #include "gromacs/utility/smalloc.h" #include "toputil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gpp_atomtype.h" #include "macros.h" diff --git a/src/gromacs/gmxpreprocess/topdirs.c b/src/gromacs/gmxpreprocess/topdirs.c index 212bf1ea6f..14132f2e5f 100644 --- a/src/gromacs/gmxpreprocess/topdirs.c +++ b/src/gromacs/gmxpreprocess/topdirs.c @@ -45,7 +45,7 @@ #include "gromacs/utility/smalloc.h" #include "macros.h" #include "gromacs/utility/cstringutil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "topdirs.h" /* Must correspond to the directive enum in grompp-impl.h */ diff --git a/src/gromacs/gmxpreprocess/topio.c b/src/gromacs/gmxpreprocess/topio.c index 52dcdd51cc..a2008fd842 100644 --- a/src/gromacs/gmxpreprocess/topio.c +++ b/src/gromacs/gmxpreprocess/topio.c @@ -58,7 +58,7 @@ #include "names.h" #include "gromacs/utility/cstringutil.h" #include "symtab.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "warninp.h" #include "vsite_parm.h" diff --git a/src/gromacs/gmxpreprocess/toppush.c b/src/gromacs/gmxpreprocess/toppush.c index 8f25139fd2..52dba0ee0c 100644 --- a/src/gromacs/gmxpreprocess/toppush.c +++ b/src/gromacs/gmxpreprocess/toppush.c @@ -52,7 +52,7 @@ #include "topdirs.h" #include "readir.h" #include "symtab.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "warninp.h" #include "gpp_atomtype.h" #include "gpp_bond_atomtype.h" diff --git a/src/gromacs/gmxpreprocess/topshake.c b/src/gromacs/gmxpreprocess/topshake.c index fa00694a6e..cf6b3ce01c 100644 --- a/src/gromacs/gmxpreprocess/topshake.c +++ b/src/gromacs/gmxpreprocess/topshake.c @@ -52,7 +52,7 @@ #include "toputil.h" #include "topdirs.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void copy_bond (t_params *pr, int to, int from) /* copies an entry in a bond list to another position. diff --git a/src/gromacs/gmxpreprocess/toputil.c b/src/gromacs/gmxpreprocess/toputil.c index 33db83ee49..892ee0b866 100644 --- a/src/gromacs/gmxpreprocess/toputil.c +++ b/src/gromacs/gmxpreprocess/toputil.c @@ -47,7 +47,7 @@ #include "topdirs.h" #include "toputil.h" #include "symtab.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gpp_atomtype.h" /* UTILITIES */ diff --git a/src/gromacs/gmxpreprocess/vsite_parm.c b/src/gromacs/gmxpreprocess/vsite_parm.c index 87b7763c38..d7b4a5fef1 100644 --- a/src/gromacs/gmxpreprocess/vsite_parm.c +++ b/src/gromacs/gmxpreprocess/vsite_parm.c @@ -51,7 +51,7 @@ #include "physics.h" #include "index.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/cstringutil.h" #include "physics.h" #include "macros.h" diff --git a/src/gromacs/gmxpreprocess/x2top.c b/src/gromacs/gmxpreprocess/x2top.c index 5a0c27af1b..05aef5d093 100644 --- a/src/gromacs/gmxpreprocess/x2top.c +++ b/src/gromacs/gmxpreprocess/x2top.c @@ -67,7 +67,7 @@ #include "hackblock.h" #include "nm2type.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" char atp[7] = "HCNOSX"; #define NATP (asize(atp)-1) diff --git a/src/gromacs/gmxpreprocess/xlate.c b/src/gromacs/gmxpreprocess/xlate.c index dac0b3cd65..0e7bdb7cb3 100644 --- a/src/gromacs/gmxpreprocess/xlate.c +++ b/src/gromacs/gmxpreprocess/xlate.c @@ -48,7 +48,7 @@ #include "gromacs/fileio/futil.h" #include "fflibutil.h" #include "hackblock.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "xlate.h" #include "gromacs/fileio/strdb.h" diff --git a/src/gromacs/imd/imd.c b/src/gromacs/imd/imd.c index 2e8cbcece8..2f919d6326 100644 --- a/src/gromacs/imd/imd.c +++ b/src/gromacs/imd/imd.c @@ -73,7 +73,7 @@ #include "names.h" #include "gromacs/timing/wallcycle.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /*! \brief How long shall we wait in seconds until we check for a connection again? */ #define IMDLOOPWAIT 1 diff --git a/src/gromacs/imd/imdsocket.c b/src/gromacs/imd/imdsocket.c index 6febf83e55..3c0d08a0ca 100644 --- a/src/gromacs/imd/imdsocket.c +++ b/src/gromacs/imd/imdsocket.c @@ -53,7 +53,7 @@ #include #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "imdsocket.h" #include "imd.h" diff --git a/src/gromacs/legacyheaders/gmx_hash.h b/src/gromacs/legacyheaders/gmx_hash.h index a241ee0def..da399214da 100644 --- a/src/gromacs/legacyheaders/gmx_hash.h +++ b/src/gromacs/legacyheaders/gmx_hash.h @@ -37,7 +37,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #ifdef __cplusplus extern "C" { diff --git a/src/gromacs/legacyheaders/network.h b/src/gromacs/legacyheaders/network.h index 8d4d4f17a3..3bfc9a7f39 100644 --- a/src/gromacs/legacyheaders/network.h +++ b/src/gromacs/legacyheaders/network.h @@ -48,7 +48,7 @@ #include "types/simple.h" #include "typedefs.h" #include "main.h" -#include "gmx_fatal.h" +#include "../utility/fatalerror.h" #ifdef __cplusplus extern "C" { diff --git a/src/gromacs/legacyheaders/vec.h b/src/gromacs/legacyheaders/vec.h index a14dc49dc9..a8300ea00b 100644 --- a/src/gromacs/legacyheaders/vec.h +++ b/src/gromacs/legacyheaders/vec.h @@ -113,14 +113,16 @@ #include #endif +#include + #include "types/simple.h" -#include "../math/utilities.h" #include "typedefs.h" #include "sysstuff.h" -#include "gmx_fatal.h" -#include #include "physics.h" +#include "../math/utilities.h" +#include "../utility/fatalerror.h" + #ifdef __cplusplus extern "C" { #elif 0 diff --git a/src/gromacs/linearalgebra/eigensolver.c b/src/gromacs/linearalgebra/eigensolver.c index a0221be3c7..06af5423c2 100644 --- a/src/gromacs/linearalgebra/eigensolver.c +++ b/src/gromacs/linearalgebra/eigensolver.c @@ -37,9 +37,9 @@ #include "eigensolver.h" #include "gromacs/legacyheaders/types/simple.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/linearalgebra/sparsematrix.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "gmx_lapack.h" diff --git a/src/gromacs/linearalgebra/matrix.c b/src/gromacs/linearalgebra/matrix.c index ccbd22ec19..eda4e452cb 100644 --- a/src/gromacs/linearalgebra/matrix.c +++ b/src/gromacs/linearalgebra/matrix.c @@ -42,9 +42,9 @@ #include -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/legacyheaders/vec.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "gmx_lapack.h" diff --git a/src/gromacs/linearalgebra/mtxio.c b/src/gromacs/linearalgebra/mtxio.c index 0a82d271c6..a446feed9b 100644 --- a/src/gromacs/linearalgebra/mtxio.c +++ b/src/gromacs/linearalgebra/mtxio.c @@ -46,11 +46,10 @@ */ #include "gromacs/legacyheaders/copyrite.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/fileio/gmxfio.h" #include "gromacs/fileio/xdrf.h" #include "gromacs/linearalgebra/sparsematrix.h" - +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" /* Just a number to identify our file type */ diff --git a/src/gromacs/linearalgebra/nrjac.c b/src/gromacs/linearalgebra/nrjac.c index b5cf7066b4..485f1ad973 100644 --- a/src/gromacs/linearalgebra/nrjac.c +++ b/src/gromacs/linearalgebra/nrjac.c @@ -39,7 +39,7 @@ #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" static gmx_inline diff --git a/src/gromacs/math/3dview.c b/src/gromacs/math/3dview.c index 5e8a06c41e..bc3262344d 100644 --- a/src/gromacs/math/3dview.c +++ b/src/gromacs/math/3dview.c @@ -48,7 +48,7 @@ #include "pbc.h" #include "vec.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define N 4 diff --git a/src/gromacs/math/do_fit.c b/src/gromacs/math/do_fit.c index 9701f769ab..96dabfa22d 100644 --- a/src/gromacs/math/do_fit.c +++ b/src/gromacs/math/do_fit.c @@ -43,7 +43,7 @@ #include "txtdump.h" #include "gromacs/linearalgebra/nrjac.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" real calc_similar_ind(gmx_bool bRho, int nind, atom_id *index, real mass[], diff --git a/src/gromacs/mdlib/adress.c b/src/gromacs/mdlib/adress.c index d2ac44d54c..ba290c1431 100644 --- a/src/gromacs/mdlib/adress.c +++ b/src/gromacs/mdlib/adress.c @@ -41,7 +41,7 @@ #include "typedefs.h" #include "vec.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" real adress_weight(rvec x, diff --git a/src/gromacs/mdlib/clincs.c b/src/gromacs/mdlib/clincs.c index d215cbdac6..298eea4a59 100644 --- a/src/gromacs/mdlib/clincs.c +++ b/src/gromacs/mdlib/clincs.c @@ -54,7 +54,7 @@ #include "gmx_omp_nthreads.h" #include "gromacs/fileio/gmxfio.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/gmxomp.h" typedef struct { diff --git a/src/gromacs/mdlib/constr.c b/src/gromacs/mdlib/constr.c index 1f5addc99b..3c972df072 100644 --- a/src/gromacs/mdlib/constr.c +++ b/src/gromacs/mdlib/constr.c @@ -61,7 +61,7 @@ #include "gromacs/essentialdynamics/edsam.h" #include "gromacs/pulling/pull.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct gmx_constr { int ncon_tot; /* The total number of constraints */ diff --git a/src/gromacs/mdlib/coupling.c b/src/gromacs/mdlib/coupling.c index c0ca011148..3a3b71a9a6 100644 --- a/src/gromacs/mdlib/coupling.c +++ b/src/gromacs/mdlib/coupling.c @@ -47,7 +47,7 @@ #include "macros.h" #include "physics.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "txtdump.h" #include "nrnb.h" #include "gromacs/random/random.h" diff --git a/src/gromacs/mdlib/csettle.c b/src/gromacs/mdlib/csettle.c index 281f3973c2..68f9b3268f 100644 --- a/src/gromacs/mdlib/csettle.c +++ b/src/gromacs/mdlib/csettle.c @@ -42,7 +42,7 @@ #include #include "vec.h" #include "constr.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "pbc.h" diff --git a/src/gromacs/mdlib/domdec.c b/src/gromacs/mdlib/domdec.c index fc82a2d455..5caeaaa530 100644 --- a/src/gromacs/mdlib/domdec.c +++ b/src/gromacs/mdlib/domdec.c @@ -46,7 +46,7 @@ #include "typedefs.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gmx_fatal_collective.h" #include "vec.h" #include "domdec.h" diff --git a/src/gromacs/mdlib/domdec_box.c b/src/gromacs/mdlib/domdec_box.c index 6b20dd987c..1302ffec3b 100644 --- a/src/gromacs/mdlib/domdec_box.c +++ b/src/gromacs/mdlib/domdec_box.c @@ -46,7 +46,7 @@ #include "nsgrid.h" #include "network.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" static void calc_cgcm_av_stddev(t_block *cgs, int n, rvec *x, rvec av, rvec stddev, t_commrec *cr_sum) diff --git a/src/gromacs/mdlib/domdec_con.c b/src/gromacs/mdlib/domdec_con.c index d79ffb5065..c09ec52fdd 100644 --- a/src/gromacs/mdlib/domdec_con.c +++ b/src/gromacs/mdlib/domdec_con.c @@ -50,7 +50,7 @@ #include "gmx_omp_nthreads.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" typedef struct { int nsend; diff --git a/src/gromacs/mdlib/domdec_top.c b/src/gromacs/mdlib/domdec_top.c index 8aa77bfb6a..3b65f89979 100644 --- a/src/gromacs/mdlib/domdec_top.c +++ b/src/gromacs/mdlib/domdec_top.c @@ -56,7 +56,7 @@ #include "force.h" #include "gmx_omp_nthreads.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /* for dd_init_local_state */ #define NITEM_DD_INIT_LOCAL_STATE 5 diff --git a/src/gromacs/mdlib/ebin.c b/src/gromacs/mdlib/ebin.c index 4760fcf32e..feaec2ccc7 100644 --- a/src/gromacs/mdlib/ebin.c +++ b/src/gromacs/mdlib/ebin.c @@ -44,7 +44,7 @@ #include "sysstuff.h" #include "gromacs/utility/smalloc.h" #include "typedefs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "ebin.h" #include "main.h" #include "gromacs/math/utilities.h" diff --git a/src/gromacs/mdlib/ewald.c b/src/gromacs/mdlib/ewald.c index 9a12d41e88..059b0ea31b 100644 --- a/src/gromacs/mdlib/ewald.c +++ b/src/gromacs/mdlib/ewald.c @@ -44,7 +44,7 @@ #include "types/commrec.h" #include "vec.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "physics.h" #include "coulomb.h" #include "macros.h" diff --git a/src/gromacs/mdlib/expanded.c b/src/gromacs/mdlib/expanded.c index 14d0e7ea3d..c0fe8d8cd2 100644 --- a/src/gromacs/mdlib/expanded.c +++ b/src/gromacs/mdlib/expanded.c @@ -71,7 +71,7 @@ #include "gromacs/fileio/trnio.h" #include "gromacs/fileio/xtcio.h" #include "gromacs/timing/wallcycle.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/gmxmpi.h" static void init_df_history_weights(df_history_t *dfhist, t_expanded *expand, int nlim) diff --git a/src/gromacs/mdlib/force.c b/src/gromacs/mdlib/force.c index 0726402913..af92598bb7 100644 --- a/src/gromacs/mdlib/force.c +++ b/src/gromacs/mdlib/force.c @@ -65,7 +65,7 @@ #include "gmx_omp_nthreads.h" #include "gromacs/timing/wallcycle.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" void ns(FILE *fp, t_forcerec *fr, diff --git a/src/gromacs/mdlib/forcerec.c b/src/gromacs/mdlib/forcerec.c index 67cd36f341..9703bfaabd 100644 --- a/src/gromacs/mdlib/forcerec.c +++ b/src/gromacs/mdlib/forcerec.c @@ -49,7 +49,7 @@ #include "macros.h" #include "gromacs/utility/smalloc.h" #include "macros.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "physics.h" #include "force.h" #include "tables.h" diff --git a/src/gromacs/mdlib/genborn.c b/src/gromacs/mdlib/genborn.c index 6c20080c5f..5591696592 100644 --- a/src/gromacs/mdlib/genborn.c +++ b/src/gromacs/mdlib/genborn.c @@ -52,7 +52,7 @@ #include "physics.h" #include "domdec.h" #include "network.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "mtop_util.h" #include "pbc.h" #include "nrnb.h" diff --git a/src/gromacs/mdlib/genborn_sse2_double.c b/src/gromacs/mdlib/genborn_sse2_double.c index 7e71bf8ba4..345933f3e4 100644 --- a/src/gromacs/mdlib/genborn_sse2_double.c +++ b/src/gromacs/mdlib/genborn_sse2_double.c @@ -50,7 +50,7 @@ #include "physics.h" #include "domdec.h" #include "network.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "mtop_util.h" #include "genborn.h" diff --git a/src/gromacs/mdlib/genborn_sse2_single.c b/src/gromacs/mdlib/genborn_sse2_single.c index 95fa0cdc40..8e1b69bc89 100644 --- a/src/gromacs/mdlib/genborn_sse2_single.c +++ b/src/gromacs/mdlib/genborn_sse2_single.c @@ -50,7 +50,7 @@ #include "physics.h" #include "domdec.h" #include "network.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "mtop_util.h" #include "genborn.h" diff --git a/src/gromacs/mdlib/init.c b/src/gromacs/mdlib/init.c index 95516341f8..2dcc481b8b 100644 --- a/src/gromacs/mdlib/init.c +++ b/src/gromacs/mdlib/init.c @@ -45,7 +45,7 @@ #include "vec.h" #include "main.h" #include "mvdata.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "symtab.h" #include "txtdump.h" #include "mdatoms.h" diff --git a/src/gromacs/mdlib/iteratedconstraints.c b/src/gromacs/mdlib/iteratedconstraints.c index 5c3529f0f0..f3f37a40eb 100644 --- a/src/gromacs/mdlib/iteratedconstraints.c +++ b/src/gromacs/mdlib/iteratedconstraints.c @@ -3,7 +3,7 @@ * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team. - * Copyright (c) 2013, by the GROMACS development team, led by + * Copyright (c) 2013,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -40,7 +40,7 @@ #include #include "typedefs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "mdrun.h" #include "md_support.h" #include "md_logging.h" diff --git a/src/gromacs/mdlib/mdebin_bar.c b/src/gromacs/mdlib/mdebin_bar.c index 9f057bd6fd..84b602cf80 100644 --- a/src/gromacs/mdlib/mdebin_bar.c +++ b/src/gromacs/mdlib/mdebin_bar.c @@ -42,7 +42,7 @@ #include #include #include "typedefs.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "mdebin.h" #include "gromacs/utility/smalloc.h" #include "gromacs/fileio/enxio.h" diff --git a/src/gromacs/mdlib/minimize.c b/src/gromacs/mdlib/minimize.c index 213c05d27a..ca94eb1bee 100644 --- a/src/gromacs/mdlib/minimize.c +++ b/src/gromacs/mdlib/minimize.c @@ -50,7 +50,7 @@ #include "force.h" #include "macros.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "txtdump.h" #include "typedefs.h" #include "update.h" diff --git a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu b/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu index 4ba5acfb23..9212e11fbd 100644 --- a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu +++ b/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu @@ -43,7 +43,7 @@ #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "tables.h" #include "typedefs.h" diff --git a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre index 1ac1bf5419..ed2ffcdc22 100644 --- a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre +++ b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre @@ -49,7 +49,7 @@ #include "../nbnxn_kernel_common.h" #include "gmx_omp_nthreads.h" #include "types/force_flags.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /*! \brief Kinds of electrostatic treatments in SIMD Verlet kernels */ @@ -116,7 +116,7 @@ reduce_group_energies(int ng, int ng_2log, #else /* {0} */ -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #endif /* {0} */ diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.c index 45f09bc462..ffb0670fa5 100644 --- a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.c +++ b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.c @@ -59,7 +59,7 @@ #include "../nbnxn_kernel_common.h" #include "gmx_omp_nthreads.h" #include "types/force_flags.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /*! \brief Kinds of electrostatic treatments in SIMD Verlet kernels */ @@ -252,7 +252,7 @@ reduce_group_energies(int ng, int ng_2log, #else /* GMX_NBNXN_SIMD_2XNN */ -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #endif /* GMX_NBNXN_SIMD_2XNN */ diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c index 17608af2e7..3cd1cce93b 100644 --- a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c +++ b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.c @@ -57,7 +57,7 @@ #include "../nbnxn_kernel_common.h" #include "gmx_omp_nthreads.h" #include "types/force_flags.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /*! \brief Kinds of electrostatic treatments in SIMD Verlet kernels */ @@ -250,7 +250,7 @@ reduce_group_energies(int ng, int ng_2log, #else /* GMX_NBNXN_SIMD_4XN */ -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #endif /* GMX_NBNXN_SIMD_4XN */ diff --git a/src/gromacs/mdlib/nlistheuristics.c b/src/gromacs/mdlib/nlistheuristics.c index d2f7401295..f5266aace7 100644 --- a/src/gromacs/mdlib/nlistheuristics.c +++ b/src/gromacs/mdlib/nlistheuristics.c @@ -3,7 +3,7 @@ * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2004, The GROMACS development team. - * Copyright (c) 2012,2013, by the GROMACS development team, led by + * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -40,7 +40,7 @@ #include "typedefs.h" #include "types/nlistheuristics.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" void reset_nlistheuristics(gmx_nlheur_t *nlh, gmx_int64_t step) diff --git a/src/gromacs/mdlib/ns.c b/src/gromacs/mdlib/ns.c index 6558e2be9c..4e68fcc5f4 100644 --- a/src/gromacs/mdlib/ns.c +++ b/src/gromacs/mdlib/ns.c @@ -53,7 +53,7 @@ #include "ns.h" #include "pbc.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "nrnb.h" #include "txtdump.h" #include "mtop_util.h" diff --git a/src/gromacs/mdlib/nsgrid.c b/src/gromacs/mdlib/nsgrid.c index 137b06f255..7fbf8900cd 100644 --- a/src/gromacs/mdlib/nsgrid.c +++ b/src/gromacs/mdlib/nsgrid.c @@ -47,7 +47,7 @@ #include "macros.h" #include "gromacs/utility/smalloc.h" #include "nsgrid.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "network.h" #include "domdec.h" diff --git a/src/gromacs/mdlib/pme.c b/src/gromacs/mdlib/pme.c index 17eb6482d1..a832a389ef 100644 --- a/src/gromacs/mdlib/pme.c +++ b/src/gromacs/mdlib/pme.c @@ -70,7 +70,7 @@ #include "vec.h" #include "gromacs/utility/smalloc.h" #include "coulomb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "pme.h" #include "network.h" #include "physics.h" diff --git a/src/gromacs/mdlib/pme_pp.c b/src/gromacs/mdlib/pme_pp.c index 7ed29b3117..ddaeba64ac 100644 --- a/src/gromacs/mdlib/pme_pp.c +++ b/src/gromacs/mdlib/pme_pp.c @@ -46,7 +46,7 @@ #include "typedefs.h" #include "types/commrec.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "pme.h" #include "network.h" diff --git a/src/gromacs/mdlib/qm_gamess.c b/src/gromacs/mdlib/qm_gamess.c index d3ba4ac4ab..f3e69193a3 100644 --- a/src/gromacs/mdlib/qm_gamess.c +++ b/src/gromacs/mdlib/qm_gamess.c @@ -62,7 +62,7 @@ #include "qmmm.h" #include #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "typedefs.h" #include diff --git a/src/gromacs/mdlib/qm_gaussian.c b/src/gromacs/mdlib/qm_gaussian.c index 8e96ec739a..d984e0e1b6 100644 --- a/src/gromacs/mdlib/qm_gaussian.c +++ b/src/gromacs/mdlib/qm_gaussian.c @@ -62,7 +62,7 @@ #include "qmmm.h" #include #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "typedefs.h" #include diff --git a/src/gromacs/mdlib/qm_mopac.c b/src/gromacs/mdlib/qm_mopac.c index 760e4e0058..20b8c0d296 100644 --- a/src/gromacs/mdlib/qm_mopac.c +++ b/src/gromacs/mdlib/qm_mopac.c @@ -62,7 +62,7 @@ #include "qmmm.h" #include #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "typedefs.h" #include diff --git a/src/gromacs/mdlib/qm_orca.c b/src/gromacs/mdlib/qm_orca.c index db48238ff0..af2b8a80cb 100644 --- a/src/gromacs/mdlib/qm_orca.c +++ b/src/gromacs/mdlib/qm_orca.c @@ -60,7 +60,7 @@ #include "qmmm.h" #include #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "typedefs.h" #include diff --git a/src/gromacs/mdlib/qmmm.c b/src/gromacs/mdlib/qmmm.c index ad0b66e387..a1584deb37 100644 --- a/src/gromacs/mdlib/qmmm.c +++ b/src/gromacs/mdlib/qmmm.c @@ -61,7 +61,7 @@ #include "qmmm.h" #include #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "typedefs.h" #include #include "mtop_util.h" diff --git a/src/gromacs/mdlib/shellfc.c b/src/gromacs/mdlib/shellfc.c index 531b88b616..caca572299 100644 --- a/src/gromacs/mdlib/shellfc.c +++ b/src/gromacs/mdlib/shellfc.c @@ -42,7 +42,7 @@ #include "typedefs.h" #include "types/commrec.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "vec.h" #include "txtdump.h" #include "force.h" diff --git a/src/gromacs/mdlib/stat.c b/src/gromacs/mdlib/stat.c index 393e4fe884..f001d28a3b 100644 --- a/src/gromacs/mdlib/stat.c +++ b/src/gromacs/mdlib/stat.c @@ -43,7 +43,7 @@ #include "typedefs.h" #include "types/commrec.h" #include "sysstuff.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "network.h" #include "txtdump.h" #include "names.h" diff --git a/src/gromacs/mdlib/tables.c b/src/gromacs/mdlib/tables.c index ff73a90e89..b558d267cd 100644 --- a/src/gromacs/mdlib/tables.c +++ b/src/gromacs/mdlib/tables.c @@ -43,7 +43,7 @@ #include "typedefs.h" #include "names.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/fileio/futil.h" #include "xvgr.h" #include "vec.h" diff --git a/src/gromacs/mdlib/tpi.c b/src/gromacs/mdlib/tpi.c index 72a6901f9e..df285c1c24 100644 --- a/src/gromacs/mdlib/tpi.c +++ b/src/gromacs/mdlib/tpi.c @@ -50,7 +50,7 @@ #include "force.h" #include "macros.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "txtdump.h" #include "typedefs.h" #include "update.h" diff --git a/src/gromacs/mdlib/wnblist.c b/src/gromacs/mdlib/wnblist.c index eb99f7a3a4..076be3819c 100644 --- a/src/gromacs/mdlib/wnblist.c +++ b/src/gromacs/mdlib/wnblist.c @@ -46,7 +46,7 @@ #include "types/commrec.h" #include "ns.h" #include "nrnb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "gromacs/fileio/futil.h" #include "names.h" diff --git a/src/gromacs/pulling/pullutil.c b/src/gromacs/pulling/pullutil.c index 6b30d111b1..3adcf1eb0b 100644 --- a/src/gromacs/pulling/pullutil.c +++ b/src/gromacs/pulling/pullutil.c @@ -48,7 +48,7 @@ #include "typedefs.h" #include "types/commrec.h" #include "names.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "macros.h" #include "symtab.h" #include "index.h" diff --git a/src/gromacs/selection/indexutil.cpp b/src/gromacs/selection/indexutil.cpp index 084577d365..52b467e2dc 100644 --- a/src/gromacs/selection/indexutil.cpp +++ b/src/gromacs/selection/indexutil.cpp @@ -47,9 +47,9 @@ #include #include "gromacs/legacyheaders/index.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/legacyheaders/typedefs.h" +#include "gromacs/utility/gmxassert.h" #include "gromacs/utility/smalloc.h" /******************************************************************** @@ -844,7 +844,7 @@ gmx_ana_index_make_block(t_blocka *t, t_topology *top, gmx_ana_index_t *g, break; default: /* Should not be reached */ - gmx_bug("internal error"); + GMX_RELEASE_ASSERT(false, "Unreachable code was reached"); break; } } diff --git a/src/gromacs/simd/impl_reference/impl_reference.h b/src/gromacs/simd/impl_reference/impl_reference.h index 5269fa14e5..c4f6f776ca 100644 --- a/src/gromacs/simd/impl_reference/impl_reference.h +++ b/src/gromacs/simd/impl_reference/impl_reference.h @@ -48,7 +48,7 @@ #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /*! \cond libapi */ /*! \addtogroup module_simd */ diff --git a/src/gromacs/timing/wallcycle.c b/src/gromacs/timing/wallcycle.c index 03f726d9d5..ccecbe8ca4 100644 --- a/src/gromacs/timing/wallcycle.c +++ b/src/gromacs/timing/wallcycle.c @@ -43,7 +43,7 @@ #include #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "md_logging.h" #include "gromacs/utility/cstringutil.h" diff --git a/src/gromacs/tools/check.c b/src/gromacs/tools/check.c index 3d166cf465..404c056045 100644 --- a/src/gromacs/tools/check.c +++ b/src/gromacs/tools/check.c @@ -47,7 +47,7 @@ #include "gromacs/commandline/pargs.h" #include "sysstuff.h" #include "txtdump.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "atomprop.h" #include "vec.h" #include "pbc.h" diff --git a/src/gromacs/tools/compare.c b/src/gromacs/tools/compare.c index 24ad49bab7..dc7f6aac98 100644 --- a/src/gromacs/tools/compare.c +++ b/src/gromacs/tools/compare.c @@ -48,7 +48,7 @@ #include "gromacs/fileio/futil.h" #include "sysstuff.h" #include "txtdump.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "names.h" #include "gromacs/fileio/tpxio.h" #include "gromacs/fileio/trxio.h" diff --git a/src/gromacs/tools/convert_tpr.c b/src/gromacs/tools/convert_tpr.c index 08c264e97e..32495dbe7b 100644 --- a/src/gromacs/tools/convert_tpr.c +++ b/src/gromacs/tools/convert_tpr.c @@ -40,7 +40,7 @@ #include #include "index.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "sysstuff.h" #include "gromacs/utility/smalloc.h" #include "macros.h" diff --git a/src/gromacs/tools/dump.c b/src/gromacs/tools/dump.c index ad94ac7162..f31811dd57 100644 --- a/src/gromacs/tools/dump.c +++ b/src/gromacs/tools/dump.c @@ -47,7 +47,7 @@ #include "gromacs/commandline/pargs.h" #include "sysstuff.h" #include "txtdump.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "names.h" #include "txtdump.h" diff --git a/src/gromacs/utility/CMakeLists.txt b/src/gromacs/utility/CMakeLists.txt index ae59513caa..b0871b57c8 100644 --- a/src/gromacs/utility/CMakeLists.txt +++ b/src/gromacs/utility/CMakeLists.txt @@ -45,6 +45,7 @@ set(UTILITY_PUBLIC_HEADERS common.h errorcodes.h exceptions.h + fatalerror.h file.h flags.h gmx_header_config.h diff --git a/src/gromacs/utility/cstringutil.c b/src/gromacs/utility/cstringutil.c index 71c22d3838..230c92a5cf 100644 --- a/src/gromacs/utility/cstringutil.c +++ b/src/gromacs/utility/cstringutil.c @@ -60,10 +60,10 @@ #endif #include "gromacs/legacyheaders/types/simple.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/legacyheaders/main.h" #include "gromacs/fileio/futil.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" int continuing(char *s) diff --git a/src/gromacs/gmxlib/gmx_fatal.c b/src/gromacs/utility/fatalerror.c similarity index 97% rename from src/gromacs/gmxlib/gmx_fatal.c rename to src/gromacs/utility/fatalerror.c index 837abe06d7..2c1171ef67 100644 --- a/src/gromacs/gmxlib/gmx_fatal.c +++ b/src/gromacs/utility/fatalerror.c @@ -34,8 +34,8 @@ * To help us fund GROMACS development, we humbly ask that you cite * the research papers on the package. Check out http://www.gromacs.org. */ -#include "gmx_fatal.h" -#include "gmx_fatal_collective.h" +#include "fatalerror.h" +#include "gromacs/legacyheaders/gmx_fatal_collective.h" #ifdef HAVE_CONFIG_H #include @@ -44,15 +44,15 @@ #include #include #include +#include #include #include "thread_mpi/threads.h" -#include "main.h" -#include "types/commrec.h" -#include "network.h" -#include "copyrite.h" -#include "macros.h" +#include "gromacs/legacyheaders/types/commrec.h" +#include "gromacs/legacyheaders/copyrite.h" +#include "gromacs/legacyheaders/macros.h" +#include "gromacs/legacyheaders/network.h" #include "gromacs/fileio/futil.h" #include "gromacs/fileio/gmxfio.h" diff --git a/src/gromacs/legacyheaders/gmx_fatal.h b/src/gromacs/utility/fatalerror.h similarity index 98% rename from src/gromacs/legacyheaders/gmx_fatal.h rename to src/gromacs/utility/fatalerror.h index 8bf145b35e..8e8c0912f4 100644 --- a/src/gromacs/legacyheaders/gmx_fatal.h +++ b/src/gromacs/utility/fatalerror.h @@ -39,13 +39,14 @@ * Declares fatal error handling and debugging routines for C code. * * \inpublicapi + * \ingroup module_utility */ -#ifndef _fatal_h -#define _fatal_h +#ifndef GMX_UTILITY_FATALERROR_H +#define GMX_UTILITY_FATALERROR_H #include -#include "types/simple.h" +#include "../legacyheaders/types/simple.h" #ifdef __cplusplus extern "C" { diff --git a/src/gromacs/utility/gmxomp.cpp b/src/gromacs/utility/gmxomp.cpp index 9e6469b3a4..a258481f23 100644 --- a/src/gromacs/utility/gmxomp.cpp +++ b/src/gromacs/utility/gmxomp.cpp @@ -49,11 +49,11 @@ #endif #include "gromacs/legacyheaders/copyrite.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/legacyheaders/md_logging.h" #include "gromacs/utility/common.h" #include "gromacs/utility/cstringutil.h" +#include "gromacs/utility/fatalerror.h" int gmx_omp_get_max_threads(void) { diff --git a/src/gromacs/utility/smalloc.c b/src/gromacs/utility/smalloc.c index 85ae9d0b14..5414524689 100644 --- a/src/gromacs/utility/smalloc.c +++ b/src/gromacs/utility/smalloc.c @@ -49,8 +49,7 @@ #include #endif -#include "gromacs/legacyheaders/gmx_fatal.h" - +#include "gromacs/utility/fatalerror.h" #ifdef PRINT_ALLOC_KB #include "gromacs/utility/gmxmpi.h" #endif diff --git a/src/programs/mdrun/mdrun.cpp b/src/programs/mdrun/mdrun.cpp index ca96aadcfb..a783c35054 100644 --- a/src/programs/mdrun/mdrun.cpp +++ b/src/programs/mdrun/mdrun.cpp @@ -44,7 +44,6 @@ #include "gromacs/legacyheaders/checkpoint.h" #include "gromacs/legacyheaders/copyrite.h" -#include "gromacs/legacyheaders/gmx_fatal.h" #include "gromacs/legacyheaders/macros.h" #include "gromacs/legacyheaders/main.h" #include "gromacs/legacyheaders/mdrun.h" @@ -55,6 +54,7 @@ #include "gromacs/commandline/pargs.h" #include "gromacs/fileio/filenm.h" +#include "gromacs/utility/fatalerror.h" int gmx_mdrun(int argc, char *argv[]) { diff --git a/src/programs/view/dialogs.cpp b/src/programs/view/dialogs.cpp index e4ba670a4c..6aee5b5ef6 100644 --- a/src/programs/view/dialogs.cpp +++ b/src/programs/view/dialogs.cpp @@ -54,7 +54,7 @@ #include "nmol.h" #include "manager.h" #include "gromacs/fileio/futil.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #define MBFLAGS /* MB_APPLMODAL | */ MB_DONTSHOW diff --git a/src/programs/view/filter.cpp b/src/programs/view/filter.cpp index 1acaa8c42b..15affb3fd0 100644 --- a/src/programs/view/filter.cpp +++ b/src/programs/view/filter.cpp @@ -50,7 +50,7 @@ #include "xdlghi.h" #include "dialogs.h" #include "index.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" t_filter *init_filter(t_atoms *atoms, const char *fn, int natom_trx) { diff --git a/src/programs/view/nmol.cpp b/src/programs/view/nmol.cpp index 5a6866fff4..28086732d1 100644 --- a/src/programs/view/nmol.cpp +++ b/src/programs/view/nmol.cpp @@ -45,7 +45,7 @@ #include "macros.h" #include "xutil.h" #include "gromacs/math/3dview.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "buttons.h" #include "manager.h" #include "nmol.h" diff --git a/src/programs/view/view.cpp b/src/programs/view/view.cpp index 2408ced16f..0d0c823172 100644 --- a/src/programs/view/view.cpp +++ b/src/programs/view/view.cpp @@ -44,7 +44,7 @@ #include "sysstuff.h" #include "macros.h" #include "gromacs/utility/smalloc.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "typedefs.h" #include "gromacs/commandline/pargs.h" #include "copyrite.h" diff --git a/src/programs/view/xdlg.cpp b/src/programs/view/xdlg.cpp index dc4e0b6e4e..997ad2255a 100644 --- a/src/programs/view/xdlg.cpp +++ b/src/programs/view/xdlg.cpp @@ -48,7 +48,7 @@ #include "xutil.h" #include "xdlg.h" #include "xmb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" /***************************** * * Helpful routines diff --git a/src/programs/view/xdlghi.cpp b/src/programs/view/xdlghi.cpp index 5d280fc75d..6ebf21adc0 100644 --- a/src/programs/view/xdlghi.cpp +++ b/src/programs/view/xdlghi.cpp @@ -42,7 +42,7 @@ #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/cstringutil.h" #include "sysstuff.h" #include "gromacs/utility/smalloc.h" diff --git a/src/programs/view/xdlgitem.cpp b/src/programs/view/xdlgitem.cpp index 590bf73324..09bf122b13 100644 --- a/src/programs/view/xdlgitem.cpp +++ b/src/programs/view/xdlgitem.cpp @@ -45,7 +45,7 @@ #include -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs/utility/smalloc.h" #include "macros.h" #include "Xstuff.h" diff --git a/src/programs/view/xmb.cpp b/src/programs/view/xmb.cpp index 2b747ded6d..8e08a7b266 100644 --- a/src/programs/view/xmb.cpp +++ b/src/programs/view/xmb.cpp @@ -3,7 +3,7 @@ * * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2013, The GROMACS development team. - * Copyright (c) 2013, by the GROMACS development team, led by + * Copyright (c) 2013,2014, by the GROMACS development team, led by * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, * and including many others, as listed in the AUTHORS file in the * top-level source directory and at http://www.gromacs.org. @@ -49,7 +49,7 @@ #include "xutil.h" #include "xdlg.h" #include "xmb.h" -#include "gmx_fatal.h" +#include "gromacs/utility/fatalerror.h" #include "gromacs.bm" #include "stop.bm" #include "info.bm"