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Adding pair style dpd/intel and dihedral style fourier/intel

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Adding raw performance numbers for Skylake xeon server.
Fixes for using older Intel compilers and compiling without OpenMP.
Fix adding in hooks for using USER-INTEL w/ minimization.
This commit is contained in:
Michael Brown
2017-10-02 04:53:17 -07:00
parent f2c1172741
commit cf24dd0265
17 changed files with 1345 additions and 19 deletions
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3
src/USER-INTEL/intel_buffers.cpp
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@ -409,6 +409,7 @@ void IntelBuffers<flt_t, acc_t>::grow_ccache(const int off_flag,
IP_PRE_get_stride(_ccache_stride3, nsize * 3, sizeof(acc_t), 0);
lmp->memory->create(_ccachef, _ccache_stride3 * nt, "_ccachef");
#endif
memset(_ccachei, 0, vsize * sizeof(int));
memset(_ccachej, 0, vsize * sizeof(int));
#ifdef _LMP_INTEL_OFFLOAD
@ -425,7 +426,7 @@ void IntelBuffers<flt_t, acc_t>::grow_ccache(const int off_flag,
#pragma offload_transfer target(mic:_cop) \
nocopy(ccachex,ccachey:length(vsize) alloc_if(1) free_if(0)) \
nocopy(ccachez,ccachew:length(vsize) alloc_if(1) free_if(0)) \
nocopy(ccachei:length(vsize) alloc_if(1) free_if(0)) \
in(ccachei:length(vsize) alloc_if(1) free_if(0)) \
in(ccachej:length(vsize) alloc_if(1) free_if(0))
}
#ifdef LMP_USE_AVXCD