Was superseeded in 2006. No Cray XT3 should be around anymore.
Also gets rid of GMX_NO_SYSTEM which was only set by Catamount
Change-Id: Ib3c0450995e395ccdd2935b629da7930d9da5a4a
"or set the variables reported missing for MPI_C above.")
endif()
- include(gmxTestCatamount)
- gmx_test_catamount(GMX_CRAY_CATAMOUNT)
- if(GMX_CRAY_CATAMOUNT)
- set(GMX_NO_SYSTEM 1)
- set(GMX_NO_NICE 1)
- set(HAVE_PWD_H 0)
- endif()
-
set(GMX_LIB_MPI 1)
endif()
+++ /dev/null
-#
-# This file is part of the GROMACS molecular simulation package.
-#
-# Copyright (c) 2009,2013, 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.
-#
-# GROMACS is free software; you can redistribute it and/or
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-# the research papers on the package. Check out http://www.gromacs.org.
-
-# - Define function to check we are compiling for CRAY XT catamount
-#
-# GMX_TEST_CATAMOUNT(VARIABLE)
-#
-# VARIABLE will be set to true if we are compiling for catamount
-#
-
-function(GMX_TEST_CATAMOUNT VARIABLE)
- include(CheckCSourceCompiles)
- check_c_source_compiles(
- "int
-main()
-{
-#if defined __QK_USER__
- return 0;
-#else
-# error not catamount
-#endif
-}" CATAMOUNT_COMPILE_OK)
- set(${VARIABLE} ${CATAMOUNT_COMPILE_OK} PARENT_SCOPE)
-endfunction()
/* Use if can't rename checkpoints */
#cmakedefine GMX_NO_RENAME
-/* Ignore calls to system(3) */
-#cmakedefine GMX_NO_SYSTEM
-
/* Use (modified) Gamess-UK for QM-MM calculations */
#cmakedefine GMX_QMMM_GAMESS
*/
#include "gmxpre.h"
-#include "config.h"
-
#include <stdlib.h>
#include "gromacs/commandline/pargs.h"
write_pdbfile_indexed(tapein, NULL, atoms, x, ePBC, box, ' ', -1, gnx, index, NULL, TRUE);
gmx_ffclose(tapein);
-#ifdef GMX_NO_SYSTEM
- printf("Warning-- No calls to system(3) supported on this platform.");
- printf("Warning-- Skipping execution of 'system(\"%s\")'.", dssp);
- exit(1);
-#else
if (0 != system(dssp))
{
gmx_fatal(FARGS, "Failed to execute command: %s\n",
"Try specifying your dssp version with the -ver option.", dssp);
}
-#endif
/* strip_dssp returns the number of lines found in the dssp file, i.e.
* the number of residues plus the separator lines */
char c[255];
sprintf(c, "%s %d", exec_command, file_nr-1);
/*fprintf(stderr,"Executing '%s'\n",c);*/
-#ifdef GMX_NO_SYSTEM
- printf("Warning-- No calls to system(3) supported on this platform.");
- printf("Warning-- Skipping execution of 'system(\"%s\")'.", c);
-#else
if (0 != system(c))
{
gmx_fatal(FARGS, "Error executing command: %s", c);
}
-#endif
}
outframe++;
}
/* Wrapper for system calls */
static int gmx_system_call(char *command)
{
-#ifdef GMX_NO_SYSTEM
- gmx_fatal(FARGS, "No calls to system(3) supported on this platform. Attempted to call:\n'%s'\n", command);
-#else
return ( system(command) );
-#endif
}
#include "gromacs/legacyheaders/viewit.h"
-#include "config.h"
-
#include <stdlib.h>
#include <string.h>
{
sprintf(buf, "%s %s %s &", cmd, opts ? opts : "", fn);
fprintf(stderr, "Executing '%s'\n", buf);
-#ifdef GMX_NO_SYSTEM
- printf("Warning-- No calls to system(3) supported on this platform.");
- printf("Warning-- Skipping execution of 'system(\"%s\")'.", buf);
-#else
if (0 != system(buf) )
{
gmx_fatal(FARGS, "Failed executing command: %s", buf);
}
-#endif
}
}
}
"input.log");
}
fprintf(stderr, "Calling '%s'\n", buf);
-#ifdef GMX_NO_SYSTEM
- printf("Warning-- No calls to system(3) supported on this platform.");
- gmx_fatal(FARGS, "Call to '%s' failed\n", buf);
-#else
if (system(buf) != 0)
{
gmx_fatal(FARGS, "Call to '%s' failed\n", buf);
}
-#endif
}
real call_gaussian(t_commrec *cr, t_forcerec *fr,
fprintf(stderr, "command: %s\n", command);
#endif
-#ifdef GMX_NO_SYSTEM
- printf("Warning-- No calls to system(3) supported on this platform.");
- printf("Warning-- Skipping execution of 'system(\"%s\")'.", buf);
-#else
if (0 != system(command))
{
gmx_fatal(FARGS, "Failed to execute command: %s", command);
}
-#endif
#ifdef DEBUG
unlink(tmp)