Loading src/USER-OMP/thr_data.h +1 −0 Original line number Diff line number Diff line Loading @@ -97,6 +97,7 @@ class ThrData { double **vatom_dihed; double **vatom_imprp; double **vatom_kspce; double **cvatom_pair; double **cvatom_angle; double **cvatom_dihed; double **cvatom_imprp; Loading src/USER-OMP/thr_omp.cpp +17 −0 Original line number Diff line number Diff line Loading @@ -82,6 +82,15 @@ void ThrOMP::ev_setup_thr(int eflag, int vflag, int nall, double *eatom, if (nall > 0) memset(&(thr->vatom_pair[0][0]),0,nall*6*sizeof(double)); } // check cvatom_pair, because can't access cntratmstressflag if ((vflag & 8) && cvatom) { thr->cvatom_pair = cvatom + tid*nall; if (nall > 0) memset(&(thr->cvatom_pair[0][0]),0,nall*9*sizeof(double)); } else { thr->cvatom_pair = NULL; } } if (thr_style & THR_BOND) { Loading Loading @@ -234,6 +243,10 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag, if (vflag & 12) { data_reduce_thr(&(pair->vatom[0][0]), nall, nthreads, 6, tid); } // check cvatom_pair, because can't access cntratmstressflag if ((vflag & 8) && thr->cvatom_pair) { data_reduce_thr(&(pair->cvatom[0][0]), nall, nthreads, 9, tid); } } } break; Loading Loading @@ -381,6 +394,10 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag, if (vflag & 12) { data_reduce_thr(&(pair->vatom[0][0]), nall, nthreads, 6, tid); } // check cvatom_pair, because can't access cntratmstressflag if ((vflag & 8) && thr->cvatom_pair) { data_reduce_thr(&(pair->cvatom[0][0]), nall, nthreads, 9, tid); } } break; Loading Loading
src/USER-OMP/thr_data.h +1 −0 Original line number Diff line number Diff line Loading @@ -97,6 +97,7 @@ class ThrData { double **vatom_dihed; double **vatom_imprp; double **vatom_kspce; double **cvatom_pair; double **cvatom_angle; double **cvatom_dihed; double **cvatom_imprp; Loading
src/USER-OMP/thr_omp.cpp +17 −0 Original line number Diff line number Diff line Loading @@ -82,6 +82,15 @@ void ThrOMP::ev_setup_thr(int eflag, int vflag, int nall, double *eatom, if (nall > 0) memset(&(thr->vatom_pair[0][0]),0,nall*6*sizeof(double)); } // check cvatom_pair, because can't access cntratmstressflag if ((vflag & 8) && cvatom) { thr->cvatom_pair = cvatom + tid*nall; if (nall > 0) memset(&(thr->cvatom_pair[0][0]),0,nall*9*sizeof(double)); } else { thr->cvatom_pair = NULL; } } if (thr_style & THR_BOND) { Loading Loading @@ -234,6 +243,10 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag, if (vflag & 12) { data_reduce_thr(&(pair->vatom[0][0]), nall, nthreads, 6, tid); } // check cvatom_pair, because can't access cntratmstressflag if ((vflag & 8) && thr->cvatom_pair) { data_reduce_thr(&(pair->cvatom[0][0]), nall, nthreads, 9, tid); } } } break; Loading Loading @@ -381,6 +394,10 @@ void ThrOMP::reduce_thr(void *style, const int eflag, const int vflag, if (vflag & 12) { data_reduce_thr(&(pair->vatom[0][0]), nall, nthreads, 6, tid); } // check cvatom_pair, because can't access cntratmstressflag if ((vflag & 8) && thr->cvatom_pair) { data_reduce_thr(&(pair->cvatom[0][0]), nall, nthreads, 9, tid); } } break; Loading
