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USER-INTEL add-ons from Mike

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This commit is contained in:
Steve Plimpton
2017-08-15 17:12:07 -06:00
parent 0b3f1b8a15
commit 1d4d2155a2
35 changed files with 9675 additions and 49 deletions
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47
src/USER-INTEL/intel_buffers.cpp
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@ -30,6 +30,9 @@ IntelBuffers<flt_t, acc_t>::IntelBuffers(class LAMMPS *lmp_in) :
_off_map_listlocal = 0;
_ccachex = 0;
_ncache_alloc = 0;
_ncachetag = 0;
_cutneighsq = 0;
_cutneighghostsq = 0;
#ifdef _LMP_INTEL_OFFLOAD
_separate_buffers = 0;
_off_f = 0;
@ -447,12 +450,17 @@ void IntelBuffers<flt_t, acc_t>::free_ncache()
flt_t *ncachez = _ncachez;
int *ncachej = _ncachej;
int *ncachejtype = _ncachejtype;
int *ncachetag = _ncachetag;
#ifdef _LMP_INTEL_OFFLOAD
if (_off_ncache) {
#pragma offload_transfer target(mic:_cop) \
nocopy(ncachex,ncachey,ncachez,ncachej:alloc_if(0) free_if(1)) \
nocopy(ncachejtype:alloc_if(0) free_if(1))
if (ncachetag) {
#pragma offload_transfer target(mic:_cop) \
nocopy(ncachetag:alloc_if(0) free_if(1))
}
}
_off_ncache = 0;
#endif
@ -462,8 +470,10 @@ void IntelBuffers<flt_t, acc_t>::free_ncache()
lmp->memory->destroy(ncachez);
lmp->memory->destroy(ncachej);
lmp->memory->destroy(ncachejtype);
if (ncachetag)
lmp->memory->destroy(ncachetag);
_ncache_alloc = 0;
_ncachetag = 0;
}
}
@ -480,7 +490,7 @@ void IntelBuffers<flt_t, acc_t>::grow_ncache(const int off_flag,
const int vsize = _ncache_stride * nt;
if (_ncache_alloc) {
if (vsize > _ncache_alloc)
if (vsize > _ncache_alloc || (need_tag() && _ncachetag == 0))
free_ncache();
#ifdef _LMP_INTEL_OFFLOAD
else if (off_flag && _off_ncache == 0)
@ -495,6 +505,8 @@ void IntelBuffers<flt_t, acc_t>::grow_ncache(const int off_flag,
lmp->memory->create(_ncachez, vsize, "_ncachez");
lmp->memory->create(_ncachej, vsize, "_ncachej");
lmp->memory->create(_ncachejtype, vsize, "_ncachejtype");
if (need_tag())
lmp->memory->create(_ncachetag, vsize, "_ncachetag");
_ncache_alloc = vsize;
@ -513,6 +525,14 @@ void IntelBuffers<flt_t, acc_t>::grow_ncache(const int off_flag,
nocopy(ncachez,ncachej:length(vsize) alloc_if(1) free_if(0)) \
nocopy(ncachejtype:length(vsize) alloc_if(1) free_if(0))
}
int tsize = vsize;
if (!need_tag()) {
tsize = 16;
lmp->memory->create(_ncachetag, tsize, "_ncachetag");
}
int *ncachetag = _ncachetag;
#pragma offload_transfer target(mic:_cop) \
nocopy(ncachetag:length(tsize) alloc_if(1) free_if(0))
_off_ncache = 1;
}
#endif
@ -548,7 +568,8 @@ void IntelBuffers<flt_t, acc_t>::fdotr_reduce(const int nall,
/* ---------------------------------------------------------------------- */
template <class flt_t, class acc_t>
void IntelBuffers<flt_t, acc_t>::set_ntypes(const int ntypes)
void IntelBuffers<flt_t, acc_t>::set_ntypes(const int ntypes,
const int use_ghost_cut)
{
if (ntypes != _ntypes) {
if (_ntypes > 0) {
@ -558,16 +579,34 @@ void IntelBuffers<flt_t, acc_t>::set_ntypes(const int ntypes)
#pragma offload_transfer target(mic:_cop) \
nocopy(cutneighsqo:alloc_if(0) free_if(1))
}
flt_t * cutneighghostsqo;
if (_cutneighghostsq && _off_threads > 0 && cutneighghostsqo != 0) {
cutneighghostsqo = _cutneighghostsq[0];
#pragma offload_transfer target(mic:_cop) \
nocopy(cutneighghostsqo:alloc_if(0) free_if(1))
}
#endif
lmp->memory->destroy(_cutneighsq);
if (_cutneighghostsq != 0) lmp->memory->destroy(_cutneighghostsq);
}
if (ntypes > 0) {
lmp->memory->create(_cutneighsq, ntypes, ntypes, "_cutneighsq");
if (use_ghost_cut)
lmp->memory->create(_cutneighghostsq, ntypes, ntypes,
"_cutneighghostsq");
#ifdef _LMP_INTEL_OFFLOAD
flt_t * cutneighsqo = _cutneighsq[0];
const int ntypes2 = ntypes * ntypes;
if (_off_threads > 0 && cutneighsqo != NULL) {
#pragma offload_transfer target(mic:_cop) \
nocopy(cutneighsqo:length(ntypes * ntypes) alloc_if(1) free_if(0))
nocopy(cutneighsqo:length(ntypes2) alloc_if(1) free_if(0))
}
if (use_ghost_cut) {
flt_t * cutneighghostsqo = _cutneighghostsq[0];
if (_off_threads > 0 && cutneighghostsqo != NULL) {
#pragma offload_transfer target(mic:_cop) \
nocopy(cutneighghostsqo:length(ntypes2) alloc_if(1) free_if(0))
}
}
#endif
}