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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8496 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-07-24 23:14:32 +00:00
parent 93f70b4f0a
commit 5e52200ad3
2 changed files with 41 additions and 41 deletions
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14
src/USER-OMP/thr_omp.cpp
View File

@ -295,6 +295,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
thr->virial_bond[i] = 0.0;
}
}
}
if (eflag & 2) {
data_reduce_thr(&(bond->eatom[0]), nall, nthreads, 1, tid);
@ -302,7 +303,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
if (vflag & 4) {
data_reduce_thr(&(bond->vatom[0][0]), nall, nthreads, 6, tid);
}
}
}
break;
@ -325,6 +326,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
thr->virial_angle[i] = 0.0;
}
}
}
if (eflag & 2) {
data_reduce_thr(&(angle->eatom[0]), nall, nthreads, 1, tid);
@ -332,7 +334,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
if (vflag & 4) {
data_reduce_thr(&(angle->vatom[0][0]), nall, nthreads, 6, tid);
}
}
}
break;
@ -355,6 +357,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
thr->virial_dihed[i] = 0.0;
}
}
}
if (eflag & 2) {
data_reduce_thr(&(dihedral->eatom[0]), nall, nthreads, 1, tid);
@ -362,7 +365,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
if (vflag & 4) {
data_reduce_thr(&(dihedral->vatom[0][0]), nall, nthreads, 6, tid);
}
}
}
break;
@ -392,6 +395,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
thr->virial_pair[i] = 0.0;
}
}
}
if (eflag & 2) {
data_reduce_thr(&(dihedral->eatom[0]), nall, nthreads, 1, tid);
@ -402,7 +406,6 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
data_reduce_thr(&(pair->vatom[0][0]), nall, nthreads, 6, tid);
}
}
}
break;
case THR_IMPROPER:
@ -424,6 +427,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
thr->virial_imprp[i] = 0.0;
}
}
}
if (eflag & 2) {
data_reduce_thr(&(improper->eatom[0]), nall, nthreads, 1, tid);
@ -431,7 +435,7 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag,
if (vflag & 4) {
data_reduce_thr(&(improper->vatom[0][0]), nall, nthreads, 6, tid);
}
}
}
break;

6
src/comm.cpp
View File

@ -91,11 +91,7 @@ Comm::Comm(LAMMPS *lmp) : Pointers(lmp)
nthreads = 1;
#ifdef _OPENMP
#pragma omp parallel default(shared)
{
#pragma omp master
{ nthreads = omp_get_num_threads(); }
}
nthreads = omp_get_max_threads();
if (me == 0) {
if (screen)
fprintf(screen," using %d OpenMP thread(s) per MPI task\n",nthreads);