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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7804 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-02-16 16:13:15 +00:00
parent fa7b92e430
commit f55b74a85f
96 changed files with 326 additions and 136 deletions
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20
src/USER-OMP/fix_omp.cpp
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@ -40,13 +40,14 @@
#include <stdlib.h>
#include <stdio.h>
#include "suffix.h"
#if defined(LMP_USER_CUDA)
#include "cuda_modify_flags.h"
#endif
using namespace LAMMPS_NS;
using namespace FixConst;
using namespace FixConst;
#if defined(LMP_USER_CUDA)
using namespace FixConstCuda;
#endif
@ -63,7 +64,8 @@ static int get_tid()
/* ---------------------------------------------------------------------- */
FixOMP::FixOMP(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
thr(NULL), last_omp_style(NULL), _nthr(-1), _neighbor(true), _newton(false)
thr(NULL), last_omp_style(NULL), last_pair_hybrid(NULL),
_nthr(-1), _neighbor(true), _newton(false)
{
if ((narg < 4) || (narg > 6)) error->all(FLERR,"Illegal fix OMP command");
if (strcmp(arg[1],"all") != 0) error->all(FLERR,"Illegal fix OMP command");
@ -192,8 +194,10 @@ void FixOMP::init()
error->all(FLERR,"Cannot use r-RESPA with /omp styles");
int check_hybrid;
last_pair_hybrid = NULL;
last_omp_style = NULL;
char *last_omp_name = NULL;
char *last_hybrid_name = NULL;
// determine which is the last force style with OpenMP
// support as this is the one that has to reduce the forces
@ -220,13 +224,21 @@ void FixOMP::init()
char *suffix = style->keywords[i] + len - 4; \
if (strcmp(suffix,"/omp") == 0) { \
last_omp_name = force->name ## _style; \
last_omp_style = (void *) force->name; \
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];
}
}
}
CheckStyleForOMP(bond);
CheckHybridForOMP(bond,Bond);