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restore lost changes to fix gpu from upstream

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This commit is contained in:
Axel Kohlmeyer
2019-05-18 13:09:25 -04:00
parent 4a4297591e
commit 601746b565
1 changed files with 6 additions and 10 deletions
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16
src/GPU/fix_gpu.cpp
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@ -30,6 +30,7 @@
#include "neighbor.h" #include "neighbor.h"
#include "citeme.h" #include "citeme.h"
#include "error.h" #include "error.h"
#include "utils.h"
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
using namespace FixConst; using namespace FixConst;
@ -231,21 +232,16 @@ void FixGPU::init()
// make sure fdotr virial is not accumulated multiple times // make sure fdotr virial is not accumulated multiple times
if (force->pair_match("hybrid",1) != NULL) { if (force->pair_match("^hybrid",0) != NULL) {
PairHybrid *hybrid = (PairHybrid *) force->pair; PairHybrid *hybrid = (PairHybrid *) force->pair;
for (int i = 0; i < hybrid->nstyles; i++) for (int i = 0; i < hybrid->nstyles; i++)
if (strstr(hybrid->keywords[i],"/gpu")==NULL) if (!utils::strmatch(hybrid->keywords[i],"/gpu$"))
force->pair->no_virial_fdotr_compute = 1;
} else if (force->pair_match("hybrid/overlay",1) != NULL) {
PairHybridOverlay *hybrid = (PairHybridOverlay *) force->pair;
for (int i = 0; i < hybrid->nstyles; i++)
if (strstr(hybrid->keywords[i],"/gpu")==NULL)
force->pair->no_virial_fdotr_compute = 1; force->pair->no_virial_fdotr_compute = 1;
} }
// rRESPA support // rRESPA support
if (strstr(update->integrate_style,"respa")) if (utils::strmatch(update->integrate_style,"^respa"))
_nlevels_respa = ((Respa *) update->integrate)->nlevels; _nlevels_respa = ((Respa *) update->integrate)->nlevels;
} }
@ -276,7 +272,7 @@ void FixGPU::min_setup(int vflag)
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void FixGPU::post_force(int vflag) void FixGPU::post_force(int /* vflag */)
{ {
if (!force->pair) return; if (!force->pair) return;
@ -308,7 +304,7 @@ void FixGPU::min_post_force(int vflag)
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void FixGPU::post_force_respa(int vflag, int ilevel, int iloop) void FixGPU::post_force_respa(int vflag, int /* ilevel */, int /* iloop */)
{ {
post_force(vflag); post_force(vflag);
} }