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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7907 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-03-05 15:31:20 +00:00
parent 932f85ff2e
commit 61c4fa6ee0
84 changed files with 510 additions and 177 deletions
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48
src/USER-OMP/fix_omp.cpp
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@ -35,6 +35,7 @@
#include "angle_hybrid.h"
#include "dihedral_hybrid.h"
#include "improper_hybrid.h"
#include "kspace.h"
#include <string.h>
#include <stdlib.h>
@ -198,6 +199,7 @@ void FixOMP::init()
last_omp_style = NULL;
char *last_omp_name = NULL;
char *last_hybrid_name = NULL;
char *last_force_name = NULL;
// determine which is the last force style with OpenMP
// support as this is the one that has to reduce the forces
@ -208,9 +210,8 @@ void FixOMP::init()
if ( (strcmp(force->name ## _style,"hybrid") == 0) || \
(strcmp(force->name ## _style,"hybrid/overlay") == 0) ) \
check_hybrid=1; \
int len = strlen(force->name ## _style); \
char *suffix = force->name ## _style + len - 4; \
if (strcmp(suffix,"/omp") == 0) { \
if (force->name->suffix_flag & Suffix::OMP) { \
last_force_name = #name; \
last_omp_name = force->name ## _style; \
last_omp_style = (void *) force->name; \
} \
@ -220,24 +221,19 @@ void FixOMP::init()
if (check_hybrid) { \
Class ## Hybrid *style = (Class ## Hybrid *) force->name; \
for (int i=0; i < style->nstyles; i++) { \
int len = strlen(style->keywords[i]); \
char *suffix = style->keywords[i] + len - 4; \
if (strcmp(suffix,"/omp") == 0) { \
last_omp_name = force->name ## _style; \
if (style->styles[i]->suffix_flag & Suffix::OMP) { \
last_force_name = #name; \
last_omp_name = style->keywords[i]; \
last_omp_style = style->styles[i]; \
} \
} \
}
CheckStyleForOMP(pair);
CheckHybridForOMP(pair,Pair);
if (check_hybrid) {
PairHybrid *style = (PairHybrid *) force->pair;
for (int i=0; i < style->nstyles; i++) {
if (style->styles[i]->suffix_flag & Suffix::OMP) {
last_pair_hybrid = style->styles[i];
last_omp_name = style->keywords[i];
}
}
last_pair_hybrid = last_omp_style;
last_hybrid_name = last_omp_name;
}
CheckStyleForOMP(bond);
@ -256,8 +252,30 @@ void FixOMP::init()
#undef CheckStyleForOMP
#undef CheckHybridForOMP
set_neighbor_omp();
// diagnostic output
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,"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);
} else {
if (screen)
fprintf(screen,"No /omp style for force computation currently active\n");
if (logfile)
fprintf(screen,"No /omp style for force computation currently active\n");
}
}
}
/* ---------------------------------------------------------------------- */