From 418e9cf0bb62d3cd5cebd85395a1b3fa8ac2031f Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 24 Jan 2014 21:43:20 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11306 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/USER-OMP/fix_shear_history_omp.cpp | 4 ++-- src/USER-OMP/neigh_full_omp.cpp | 20 +++++++++---------- src/USER-OMP/neigh_gran_omp.cpp | 12 ++++++----- src/USER-OMP/neigh_half_bin_omp.cpp | 16 +++++++-------- src/USER-OMP/neigh_half_multi_omp.cpp | 12 +++++------ src/USER-OMP/neigh_half_nsq_omp.cpp | 12 +++++------ src/USER-OMP/neigh_respa_omp.cpp | 20 +++++++++---------- src/USER-OMP/pair_airebo_omp.cpp | 15 ++++++++------ src/USER-OMP/pair_comb_omp.cpp | 11 +++++----- src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp | 4 ++-- .../pair_hbond_dreiding_morse_omp.cpp | 4 ++-- src/USER-OMP/pair_nb3b_harmonic_omp.cpp | 5 +++-- src/USER-OMP/pair_peri_lps_omp.cpp | 4 ++-- src/USER-OMP/pair_peri_pmb_omp.cpp | 2 +- src/USER-OMP/pair_sw_omp.cpp | 5 +++-- src/USER-OMP/pair_tersoff_mod_omp.cpp | 5 +++-- src/USER-OMP/pair_tersoff_omp.cpp | 5 +++-- src/USER-OMP/thr_omp.cpp | 4 ---- 18 files changed, 83 insertions(+), 77 deletions(-) diff --git a/src/USER-OMP/fix_shear_history_omp.cpp b/src/USER-OMP/fix_shear_history_omp.cpp index 1fe89de3e4..1f629a4bf5 100644 --- a/src/USER-OMP/fix_shear_history_omp.cpp +++ b/src/USER-OMP/fix_shear_history_omp.cpp @@ -72,7 +72,7 @@ void FixShearHistoryOMP::pre_exchange() for (i = lfrom; i < lto; i++) npartner[i] = 0; - MyPage &ipg = ipage[tid]; + MyPage &ipg = ipage[tid]; MyPage &dpg = dpage[tid]; ipg.reset(); dpg.reset(); @@ -80,7 +80,7 @@ void FixShearHistoryOMP::pre_exchange() // 1st loop over neighbor list // calculate nparter for each owned atom - int *tag = atom->tag; + tagint *tag = atom->tag; NeighList *list = pair->list; inum = list->inum; diff --git a/src/USER-OMP/neigh_full_omp.cpp b/src/USER-OMP/neigh_full_omp.cpp index d1230555ce..ea1eb7b0ff 100644 --- a/src/USER-OMP/neigh_full_omp.cpp +++ b/src/USER-OMP/neigh_full_omp.cpp @@ -43,9 +43,9 @@ void Neighbor::full_nsq_omp(NeighList *list) double xtmp,ytmp,ztmp,delx,dely,delz,rsq; int *neighptr; - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -131,9 +131,9 @@ void Neighbor::full_nsq_ghost_omp(NeighList *list) double xtmp,ytmp,ztmp,delx,dely,delz,rsq; int *neighptr; - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -235,9 +235,9 @@ void Neighbor::full_bin_omp(NeighList *list) double xtmp,ytmp,ztmp,delx,dely,delz,rsq; int *neighptr; - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -334,9 +334,9 @@ void Neighbor::full_bin_ghost_omp(NeighList *list) int xbin,ybin,zbin,xbin2,ybin2,zbin2; int *neighptr; - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -462,9 +462,9 @@ void Neighbor::full_multi_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; diff --git a/src/USER-OMP/neigh_gran_omp.cpp b/src/USER-OMP/neigh_gran_omp.cpp index e293102e9a..36f07fa095 100644 --- a/src/USER-OMP/neigh_gran_omp.cpp +++ b/src/USER-OMP/neigh_gran_omp.cpp @@ -51,7 +51,8 @@ void Neighbor::granular_nsq_no_newton_omp(NeighList *list) int *neighptr,*touchptr; double *shearptr; - int *npartner,**partner; + int *npartner; + tagint **partner; double (**shearpartner)[3]; int **firsttouch; double **firstshear; @@ -60,7 +61,7 @@ void Neighbor::granular_nsq_no_newton_omp(NeighList *list) double **x = atom->x; double *radius = atom->radius; - int *tag = atom->tag; + tagint *tag = atom->tag; int *type = atom->type; int *mask = atom->mask; tagint *molecule = atom->molecule; @@ -189,7 +190,7 @@ void Neighbor::granular_nsq_newton_omp(NeighList *list) double **x = atom->x; double *radius = atom->radius; - int *tag = atom->tag; + tagint *tag = atom->tag; int *type = atom->type; int *mask = atom->mask; tagint *molecule = atom->molecule; @@ -292,7 +293,8 @@ void Neighbor::granular_bin_no_newton_omp(NeighList *list) MyPage *ipage_touch; MyPage *dpage_shear; - int *npartner,**partner; + int *npartner; + tagint **partner; double (**shearpartner)[3]; int **firsttouch; double **firstshear; @@ -301,7 +303,7 @@ void Neighbor::granular_bin_no_newton_omp(NeighList *list) double **x = atom->x; double *radius = atom->radius; - int *tag = atom->tag; + tagint *tag = atom->tag; int *type = atom->type; int *mask = atom->mask; tagint *molecule = atom->molecule; diff --git a/src/USER-OMP/neigh_half_bin_omp.cpp b/src/USER-OMP/neigh_half_bin_omp.cpp index 76f36ea965..a8f515ab15 100644 --- a/src/USER-OMP/neigh_half_bin_omp.cpp +++ b/src/USER-OMP/neigh_half_bin_omp.cpp @@ -49,9 +49,9 @@ void Neighbor::half_bin_no_newton_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -152,9 +152,9 @@ void Neighbor::half_bin_no_newton_ghost_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -281,9 +281,9 @@ void Neighbor::half_bin_newton_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -407,9 +407,9 @@ void Neighbor::half_bin_newton_tri_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; diff --git a/src/USER-OMP/neigh_half_multi_omp.cpp b/src/USER-OMP/neigh_half_multi_omp.cpp index a804e8008f..c503b99cf6 100644 --- a/src/USER-OMP/neigh_half_multi_omp.cpp +++ b/src/USER-OMP/neigh_half_multi_omp.cpp @@ -51,9 +51,9 @@ void Neighbor::half_multi_no_newton_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -157,9 +157,9 @@ void Neighbor::half_multi_newton_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -291,9 +291,9 @@ void Neighbor::half_multi_newton_tri_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; diff --git a/src/USER-OMP/neigh_half_nsq_omp.cpp b/src/USER-OMP/neigh_half_nsq_omp.cpp index fa90945d55..6068ea174e 100644 --- a/src/USER-OMP/neigh_half_nsq_omp.cpp +++ b/src/USER-OMP/neigh_half_nsq_omp.cpp @@ -45,9 +45,9 @@ void Neighbor::half_nsq_no_newton_omp(NeighList *list) double xtmp,ytmp,ztmp,delx,dely,delz,rsq; int *neighptr; - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -134,9 +134,9 @@ void Neighbor::half_nsq_no_newton_ghost_omp(NeighList *list) double xtmp,ytmp,ztmp,delx,dely,delz,rsq; int *neighptr; - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -243,9 +243,9 @@ void Neighbor::half_nsq_newton_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; diff --git a/src/USER-OMP/neigh_respa_omp.cpp b/src/USER-OMP/neigh_respa_omp.cpp index 458b2bbac4..2494c3abd9 100644 --- a/src/USER-OMP/neigh_respa_omp.cpp +++ b/src/USER-OMP/neigh_respa_omp.cpp @@ -52,9 +52,9 @@ void Neighbor::respa_nsq_no_newton_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -203,9 +203,9 @@ void Neighbor::respa_nsq_newton_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -375,9 +375,9 @@ void Neighbor::respa_bin_no_newton_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -538,9 +538,9 @@ void Neighbor::respa_bin_newton_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; @@ -742,9 +742,9 @@ void Neighbor::respa_bin_newton_tri_omp(NeighList *list) // loop over each atom, storing neighbors - int **special = atom->special; + tagint **special = atom->special; int **nspecial = atom->nspecial; - int *tag = atom->tag; + tagint *tag = atom->tag; double **x = atom->x; int *type = atom->type; diff --git a/src/USER-OMP/pair_airebo_omp.cpp b/src/USER-OMP/pair_airebo_omp.cpp index ec788fd6ce..bc785a2f81 100644 --- a/src/USER-OMP/pair_airebo_omp.cpp +++ b/src/USER-OMP/pair_airebo_omp.cpp @@ -1836,7 +1836,8 @@ double PairAIREBOOMP::bondorderLJ_thr(int i, int j, double rij[3], double rijmag void PairAIREBOOMP::FREBO_thr(int ifrom, int ito, int evflag, int eflag, int vflag_atom, ThrData * const thr) { - int i,j,k,m,ii,itype,jtype,itag,jtag; + int i,j,k,m,ii,itype,jtype; + tagint itag,jtag; double delx,dely,delz,evdwl,fpair,xtmp,ytmp,ztmp; double rsq,rij,wij; double Qij,Aij,alphaij,VR,pre,dVRdi,VA,term,bij,dVAdi,dVA; @@ -1848,7 +1849,7 @@ void PairAIREBOOMP::FREBO_thr(int ifrom, int ito, int evflag, int eflag, const double * const * const x = atom->x; double * const * const f = thr->get_f(); int *type = atom->type; - int *tag = atom->tag; + tagint *tag = atom->tag; int nlocal = atom->nlocal; ilist = list->ilist; @@ -1933,7 +1934,8 @@ void PairAIREBOOMP::FREBO_thr(int ifrom, int ito, int evflag, int eflag, void PairAIREBOOMP::FLJ_thr(int ifrom, int ito, int evflag, int eflag, int vflag_atom, ThrData * const thr) { - int i,j,k,m,ii,jj,kk,mm,jnum,itype,jtype,ktype,mtype,itag,jtag; + int i,j,k,m,ii,jj,kk,mm,jnum,itype,jtype,ktype,mtype; + tagint itag,jtag; int atomi,atomj,atomk,atomm; int testpath,npath,done; double evdwl,fpair,xtmp,ytmp,ztmp; @@ -1963,7 +1965,7 @@ void PairAIREBOOMP::FLJ_thr(int ifrom, int ito, int evflag, int eflag, const double * const * const x = atom->x; double * const * const f = thr->get_f(); - int *tag = atom->tag; + tagint *tag = atom->tag; int *type = atom->type; int nlocal = atom->nlocal; @@ -2297,7 +2299,8 @@ void PairAIREBOOMP::FLJ_thr(int ifrom, int ito, int evflag, int eflag, void PairAIREBOOMP::TORSION_thr(int ifrom, int ito, int evflag, int eflag, ThrData * const thr) { - int i,j,k,l,ii,itag,jtag; + int i,j,k,l,ii; + tagint itag,jtag; double evdwl,fpair,xtmp,ytmp,ztmp; double cos321; double w21,dw21,cos234,w34,dw34; @@ -2322,7 +2325,7 @@ void PairAIREBOOMP::TORSION_thr(int ifrom, int ito, const double * const * const x = atom->x; double * const * const f = thr->get_f(); int *type = atom->type; - int *tag = atom->tag; + tagint *tag = atom->tag; ilist = list->ilist; diff --git a/src/USER-OMP/pair_comb_omp.cpp b/src/USER-OMP/pair_comb_omp.cpp index 1a8c32f4a7..5731360bac 100644 --- a/src/USER-OMP/pair_comb_omp.cpp +++ b/src/USER-OMP/pair_comb_omp.cpp @@ -81,7 +81,8 @@ template void PairCombOMP::eval(int iifrom, int iito, ThrData * const thr) { int i,j,k,ii,jj,kk,jnum,iparam_i; - int itag,jtag,itype,jtype,ktype,iparam_ij,iparam_ijk; + tagint itag,jtag; + int itype,jtype,ktype,iparam_ij,iparam_ijk; double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair; double rsq,rsq1,rsq2; double delr1[3],delr2[3],fi[3],fj[3],fk[3]; @@ -101,7 +102,7 @@ void PairCombOMP::eval(int iifrom, int iito, ThrData * const thr) const double * const * const x = atom->x; double * const * const f = thr->get_f(); const double * const q = atom->q; - const int * const tag = atom->tag; + const tagint * const tag = atom->tag; const int * const type = atom->type; const int nlocal = atom->nlocal; @@ -383,7 +384,7 @@ double PairCombOMP::yasu_char(double *qf_fix, int &igroup) const double * const * const x = atom->x; const double * const q = atom->q; const int * const type = atom->type; - const int * const tag = atom->tag; + const tagint * const tag = atom->tag; const int inum = list->inum; const int * const ilist = list->ilist; @@ -418,7 +419,7 @@ double PairCombOMP::yasu_char(double *qf_fix, int &igroup) int mr1,mr2,mr3; const int i = ilist[ii]; - const int itag = tag[i]; + const tagint itag = tag[i]; int nj = 0; if (mask[i] & groupbit) { @@ -441,7 +442,7 @@ double PairCombOMP::yasu_char(double *qf_fix, int &igroup) for (int jj = 0; jj < jnum; jj++) { const int j = jlist[jj] & NEIGHMASK; - const int jtag = tag[j]; + const tagint jtag = tag[j]; if (itag > jtag) { if ((itag+jtag) % 2 == 0) continue; diff --git a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp index fad2b17386..2b5401cdd5 100644 --- a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp +++ b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp @@ -129,7 +129,7 @@ void PairHbondDreidingLJOMP::eval(int iifrom, int iito, ThrData * const thr) const int * _noalias const type = atom->type; const double * _noalias const special_lj = force->special_lj; const int * const * const nspecial = atom->nspecial; - const int * const * const special = atom->special; + const tagint * const * const special = atom->special; double fxtmp,fytmp,fztmp; ilist = list->ilist; @@ -150,7 +150,7 @@ void PairHbondDreidingLJOMP::eval(int iifrom, int iito, ThrData * const thr) itype = type[i]; if (!donor[itype]) continue; - const int * const klist = special[i]; + const tagint * const klist = special[i]; const int knum = nspecial[i][0]; jlist = firstneigh[i]; jnum = numneigh[i]; diff --git a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp index fe4a7720b8..7905c43de3 100644 --- a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp +++ b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp @@ -128,7 +128,7 @@ void PairHbondDreidingMorseOMP::eval(int iifrom, int iito, ThrData * const thr) const int * _noalias const type = atom->type; const double * _noalias const special_lj = force->special_lj; const int * const * const nspecial = atom->nspecial; - const int * const * const special = atom->special; + const tagint * const * const special = atom->special; double fxtmp,fytmp,fztmp; ilist = list->ilist; @@ -149,7 +149,7 @@ void PairHbondDreidingMorseOMP::eval(int iifrom, int iito, ThrData * const thr) itype = type[i]; if (!donor[itype]) continue; - const int * const klist = special[i]; + const tagint * const klist = special[i]; const int knum = nspecial[i][0]; jlist = firstneigh[i]; jnum = numneigh[i]; diff --git a/src/USER-OMP/pair_nb3b_harmonic_omp.cpp b/src/USER-OMP/pair_nb3b_harmonic_omp.cpp index aeaee500cb..330c01c799 100644 --- a/src/USER-OMP/pair_nb3b_harmonic_omp.cpp +++ b/src/USER-OMP/pair_nb3b_harmonic_omp.cpp @@ -69,7 +69,8 @@ void PairNb3bHarmonicOMP::compute(int eflag, int vflag) template void PairNb3bHarmonicOMP::eval(int iifrom, int iito, ThrData * const thr) { - int i,j,k,ii,jj,kk,jnum,jnumm1,itag,jtag; + int i,j,k,ii,jj,kk,jnum,jnumm1; + tagint itag,jtag; int itype,jtype,ktype,ijparam,ikparam,ijkparam; double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair; double rsq,rsq1,rsq2; @@ -80,7 +81,7 @@ void PairNb3bHarmonicOMP::eval(int iifrom, int iito, ThrData * const thr) const dbl3_t * _noalias const x = (dbl3_t *) atom->x[0]; dbl3_t * _noalias const f = (dbl3_t *) thr->get_f()[0]; - const int * _noalias const tag = atom->tag; + const tagint * _noalias const tag = atom->tag; const int * _noalias const type = atom->type; const int nlocal = atom->nlocal; diff --git a/src/USER-OMP/pair_peri_lps_omp.cpp b/src/USER-OMP/pair_peri_lps_omp.cpp index d61f71aa06..640369ac03 100644 --- a/src/USER-OMP/pair_peri_lps_omp.cpp +++ b/src/USER-OMP/pair_peri_lps_omp.cpp @@ -112,7 +112,7 @@ void PairPeriLPSOMP::eval(int iifrom, int iito, ThrData * const thr) double *s0 = atom->s0; double **x0 = atom->x0; double **r0 = ((FixPeriNeigh *) modify->fix[ifix_peri])->r0; - int **partner = ((FixPeriNeigh *) modify->fix[ifix_peri])->partner; + tagint **partner = ((FixPeriNeigh *) modify->fix[ifix_peri])->partner; int *npartner = ((FixPeriNeigh *) modify->fix[ifix_peri])->npartner; double *wvolume = ((FixPeriNeigh *) modify->fix[ifix_peri])->wvolume; @@ -375,7 +375,7 @@ void PairPeriLPSOMP::compute_dilatation_thr(int ifrom, int ito) double half_lc = 0.5*lc; double **r0 = ((FixPeriNeigh *) modify->fix[ifix_peri])->r0; - int **partner = ((FixPeriNeigh *) modify->fix[ifix_peri])->partner; + tagint **partner = ((FixPeriNeigh *) modify->fix[ifix_peri])->partner; int *npartner = ((FixPeriNeigh *) modify->fix[ifix_peri])->npartner; double *wvolume = ((FixPeriNeigh *) modify->fix[ifix_peri])->wvolume; diff --git a/src/USER-OMP/pair_peri_pmb_omp.cpp b/src/USER-OMP/pair_peri_pmb_omp.cpp index 404f1d5695..86d3cc20f2 100644 --- a/src/USER-OMP/pair_peri_pmb_omp.cpp +++ b/src/USER-OMP/pair_peri_pmb_omp.cpp @@ -108,7 +108,7 @@ void PairPeriPMBOMP::eval(int iifrom, int iito, ThrData * const thr) double *s0 = atom->s0; double **x0 = atom->x0; double **r0 = ((FixPeriNeigh *) modify->fix[ifix_peri])->r0; - int **partner = ((FixPeriNeigh *) modify->fix[ifix_peri])->partner; + tagint **partner = ((FixPeriNeigh *) modify->fix[ifix_peri])->partner; int *npartner = ((FixPeriNeigh *) modify->fix[ifix_peri])->npartner; // lc = lattice constant diff --git a/src/USER-OMP/pair_sw_omp.cpp b/src/USER-OMP/pair_sw_omp.cpp index 76bdc7cf79..1506359a7a 100644 --- a/src/USER-OMP/pair_sw_omp.cpp +++ b/src/USER-OMP/pair_sw_omp.cpp @@ -69,7 +69,8 @@ void PairSWOMP::compute(int eflag, int vflag) template void PairSWOMP::eval(int iifrom, int iito, ThrData * const thr) { - int i,j,k,ii,jj,kk,jnum,jnumm1,itag,jtag; + int i,j,k,ii,jj,kk,jnum,jnumm1; + tagint itag,jtag; int itype,jtype,ktype,ijparam,ikparam,ijkparam; double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair; double rsq,rsq1,rsq2; @@ -80,7 +81,7 @@ void PairSWOMP::eval(int iifrom, int iito, ThrData * const thr) const dbl3_t * _noalias const x = (dbl3_t *) atom->x[0]; dbl3_t * _noalias const f = (dbl3_t *) thr->get_f()[0]; - const int * _noalias const tag = atom->tag; + const tagint * _noalias const tag = atom->tag; const int * _noalias const type = atom->type; const int nlocal = atom->nlocal; diff --git a/src/USER-OMP/pair_tersoff_mod_omp.cpp b/src/USER-OMP/pair_tersoff_mod_omp.cpp index b66e08aedc..02e4962567 100644 --- a/src/USER-OMP/pair_tersoff_mod_omp.cpp +++ b/src/USER-OMP/pair_tersoff_mod_omp.cpp @@ -72,7 +72,8 @@ template void PairTersoffMODOMP::eval(int iifrom, int iito, ThrData * const thr) { int i,j,k,ii,jj,kk,jnum; - int itag,jtag,itype,jtype,ktype,iparam_ij,iparam_ijk; + tagint itag,jtag; + int itype,jtype,ktype,iparam_ij,iparam_ijk; double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair; double rsq,rsq1,rsq2; double delr1[3],delr2[3],fi[3],fj[3],fk[3]; @@ -83,7 +84,7 @@ void PairTersoffMODOMP::eval(int iifrom, int iito, ThrData * const thr) const dbl3_t * _noalias const x = (dbl3_t *) atom->x[0]; dbl3_t * _noalias const f = (dbl3_t *) thr->get_f()[0]; - const int * _noalias const tag = atom->tag; + const tagint * _noalias const tag = atom->tag; const int * _noalias const type = atom->type; const int nlocal = atom->nlocal; diff --git a/src/USER-OMP/pair_tersoff_omp.cpp b/src/USER-OMP/pair_tersoff_omp.cpp index 0e27910eb8..8d89caa5e3 100644 --- a/src/USER-OMP/pair_tersoff_omp.cpp +++ b/src/USER-OMP/pair_tersoff_omp.cpp @@ -72,7 +72,8 @@ template void PairTersoffOMP::eval(int iifrom, int iito, ThrData * const thr) { int i,j,k,ii,jj,kk,jnum; - int itag,jtag,itype,jtype,ktype,iparam_ij,iparam_ijk; + tagint itag,jtag; + int itype,jtype,ktype,iparam_ij,iparam_ijk; double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair; double rsq,rsq1,rsq2; double delr1[3],delr2[3],fi[3],fj[3],fk[3]; @@ -83,7 +84,7 @@ void PairTersoffOMP::eval(int iifrom, int iito, ThrData * const thr) const dbl3_t * _noalias const x = (dbl3_t *) atom->x[0]; dbl3_t * _noalias const f = (dbl3_t *) thr->get_f()[0]; - const int * _noalias const tag = atom->tag; + const tagint * _noalias const tag = atom->tag; const int * _noalias const type = atom->type; const int nlocal = atom->nlocal; diff --git a/src/USER-OMP/thr_omp.cpp b/src/USER-OMP/thr_omp.cpp index c9a27f054f..4aea630554 100644 --- a/src/USER-OMP/thr_omp.cpp +++ b/src/USER-OMP/thr_omp.cpp @@ -16,10 +16,6 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#ifdef LAMMPS_BIGBIG -#error LAMMPS_BIGBIG not supported by this file -#endif - #include "atom.h" #include "comm.h" #include "error.h"