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USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for per-atom virials + fixed check for exclusion with offload.

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This commit is contained in:
Michael Brown
2019-05-13 05:02:46 -07:00
parent a7c9560dc1
commit d3d4b420ba
6 changed files with 24 additions and 26 deletions
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13
src/USER-INTEL/intel_buffers.cpp
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@ -186,8 +186,8 @@ void IntelBuffers<flt_t, acc_t>::free_nmax()
{
#ifdef _LMP_INTEL_OFFLOAD
if (_off_map_nmax > 0) {
const int * tag = _off_map_tag;
const int * special = _off_map_special;
const tagint * tag = _off_map_tag;
const tagint * special = _off_map_special;
const int * nspecial = _off_map_nspecial;
#pragma offload_transfer target(mic:_cop) \
nocopy(tag:alloc_if(0) free_if(1)) \
@ -209,7 +209,8 @@ void IntelBuffers<flt_t, acc_t>::_grow_nmax(const int offload_end)
_host_nmax = size;
if (!offload_end) return;
int *special, *nspecial;
tagint *special;
int *nspecial;
int tag_length, special_length, nspecial_length;
if (lmp->atom->molecular) {
special = lmp->atom->special[0];
@ -226,7 +227,7 @@ void IntelBuffers<flt_t, acc_t>::_grow_nmax(const int offload_end)
tag_length = size;
else
tag_length = 1;
int *tag = lmp->atom->tag;
tagint *tag = lmp->atom->tag;
#pragma offload_transfer target(mic:_cop) \
nocopy(tag:length(tag_length) alloc_if(1) free_if(0)) \
nocopy(special:length(special_length) alloc_if(1) free_if(0)) \
@ -523,7 +524,7 @@ void IntelBuffers<flt_t, acc_t>::free_ncache()
flt_t *ncachez = _ncachez;
int *ncachej = _ncachej;
int *ncachejtype = _ncachejtype;
int *ncachetag = _ncachetag;
tagint *ncachetag = _ncachetag;
#ifdef _LMP_INTEL_OFFLOAD
if (_off_ncache) {
@ -603,7 +604,7 @@ void IntelBuffers<flt_t, acc_t>::grow_ncache(const int off_flag,
tsize = 16;
lmp->memory->create(_ncachetag, tsize, "_ncachetag");
}
int *ncachetag = _ncachetag;
tagint *ncachetag = _ncachetag;
#pragma offload_transfer target(mic:_cop) \
nocopy(ncachetag:length(tsize) alloc_if(1) free_if(0))
_off_ncache = 1;