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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2012-06-06 22:47:51 +00:00
parent f46eb9dedb
commit ef9e700545
1408 changed files with 58053 additions and 57983 deletions
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86
src/USER-OMP/fix_omp.cpp
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@ -5,7 +5,7 @@
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
@ -92,9 +92,9 @@ FixOMP::FixOMP(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
comm->nthreads = nthreads;
if (comm->me == 0) {
if (screen)
fprintf(screen," reset %d OpenMP thread(s) per MPI task\n", nthreads);
fprintf(screen," reset %d OpenMP thread(s) per MPI task\n", nthreads);
if (logfile)
fprintf(logfile," reset %d OpenMP thread(s) per MPI task\n", nthreads);
fprintf(logfile," reset %d OpenMP thread(s) per MPI task\n", nthreads);
}
}
@ -108,11 +108,11 @@ FixOMP::FixOMP(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
if (comm->me == 0) {
const char * const mode = _neighbor ? "OpenMP capable" : "serial";
if (screen)
fprintf(screen," using %s neighbor list subroutines\n", mode);
fprintf(screen," using %s neighbor list subroutines\n", mode);
if (logfile)
fprintf(logfile," using %s neighbor list subroutines\n", mode);
fprintf(logfile," using %s neighbor list subroutines\n", mode);
}
}
@ -121,23 +121,23 @@ FixOMP::FixOMP(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
if (strcmp(arg[5],"neigh/half") == 0)
_newton = true;
else if (strcmp(arg[5],"neigh/full") == 0)
_newton = false;
_newton = false;
else
error->all(FLERR,"Illegal fix OMP command");
if (comm->me == 0) {
const char * const mode = _newton ? "half" : "full";
if (screen)
fprintf(screen," using /omp styles with %s neighbor list builds\n", mode);
fprintf(screen," using /omp styles with %s neighbor list builds\n", mode);
if (logfile)
fprintf(logfile," using /omp styles with %s neighbor list builds\n", mode);
fprintf(logfile," using /omp styles with %s neighbor list builds\n", mode);
}
}
#endif
// allocate list for per thread accumulator manager class instances
// and then have each thread create an instance of this class to
// and then have each thread create an instance of this class to
// encourage the OS to use storage that is "close" to each thread's CPU.
thr = new ThrData *[nthreads];
_nthr = nthreads;
@ -204,29 +204,29 @@ void FixOMP::init()
// determine which is the last force style with OpenMP
// support as this is the one that has to reduce the forces
#define CheckStyleForOMP(name) \
check_hybrid = 0; \
if (force->name) { \
if ( (strcmp(force->name ## _style,"hybrid") == 0) || \
(strcmp(force->name ## _style,"hybrid/overlay") == 0) ) \
check_hybrid=1; \
if (force->name->suffix_flag & Suffix::OMP) { \
last_force_name = (const char *) #name; \
last_omp_name = force->name ## _style; \
last_omp_style = (void *) force->name; \
} \
#define CheckStyleForOMP(name) \
check_hybrid = 0; \
if (force->name) { \
if ( (strcmp(force->name ## _style,"hybrid") == 0) || \
(strcmp(force->name ## _style,"hybrid/overlay") == 0) ) \
check_hybrid=1; \
if (force->name->suffix_flag & Suffix::OMP) { \
last_force_name = (const char *) #name; \
last_omp_name = force->name ## _style; \
last_omp_style = (void *) force->name; \
} \
}
#define CheckHybridForOMP(name,Class) \
if (check_hybrid) { \
Class ## Hybrid *style = (Class ## Hybrid *) force->name; \
for (int i=0; i < style->nstyles; i++) { \
if (style->styles[i]->suffix_flag & Suffix::OMP) { \
last_force_name = (const char *) #name; \
last_omp_name = style->keywords[i]; \
last_omp_style = style->styles[i]; \
} \
} \
#define CheckHybridForOMP(name,Class) \
if (check_hybrid) { \
Class ## Hybrid *style = (Class ## Hybrid *) force->name; \
for (int i=0; i < style->nstyles; i++) { \
if (style->styles[i]->suffix_flag & Suffix::OMP) { \
last_force_name = (const char *) #name; \
last_omp_name = style->keywords[i]; \
last_omp_style = style->styles[i]; \
} \
} \
}
CheckStyleForOMP(pair);
@ -258,22 +258,22 @@ void FixOMP::init()
if (comm->me == 0) {
if (last_omp_style) {
if (last_pair_hybrid) {
if (screen)
fprintf(screen,"Hybrid pair style last /omp style %s\n", last_hybrid_name);
if (logfile)
fprintf(logfile,"Hybrid pair style last /omp style %s\n", last_hybrid_name);
if (screen)
fprintf(screen,"Hybrid pair style last /omp style %s\n", last_hybrid_name);
if (logfile)
fprintf(logfile,"Hybrid pair style last /omp style %s\n", last_hybrid_name);
}
if (screen)
fprintf(screen,"Last active /omp style is %s_style %s\n",
last_force_name, last_omp_name);
fprintf(screen,"Last active /omp style is %s_style %s\n",
last_force_name, last_omp_name);
if (logfile)
fprintf(logfile,"Last active /omp style is %s_style %s\n",
last_force_name, last_omp_name);
fprintf(logfile,"Last active /omp style is %s_style %s\n",
last_force_name, last_omp_name);
} else {
if (screen)
fprintf(screen,"No /omp style for force computation currently active\n");
fprintf(screen,"No /omp style for force computation currently active\n");
if (logfile)
fprintf(screen,"No /omp style for force computation currently active\n");
fprintf(screen,"No /omp style for force computation currently active\n");
}
}
}
@ -325,6 +325,6 @@ double FixOMP::memory_usage()
{
double bytes = comm->nthreads * (sizeof(ThrData *) + sizeof(ThrData));
bytes += comm->nthreads * thr[0]->memory_usage();
return bytes;
}