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Merge pull request #775 from wmbrownIntel/user-intel-2018u1

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USER-INTEL: Adding compiler flag and small fix to tersoff/intel for 2…
This commit is contained in:
Steve Plimpton
2018-01-17 07:34:08 -07:00
committed by GitHub
parent 480d7dd6ce 07ddb5e62c
commit 88a2f9fcc6
5 changed files with 7 additions and 3 deletions
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1
src/MAKE/OPTIONS/Makefile.intel_cpu
View File

@ -8,6 +8,7 @@ SHELL = /bin/sh
CC = mpiicpc
OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits
-qopt-zmm-usage=high
CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \
-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS)
SHFLAGS = -fPIC

1
src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi
View File

@ -8,6 +8,7 @@ SHELL = /bin/sh
CC = mpiicpc
OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits
-qopt-zmm-usage=high
CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \
-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS)
SHFLAGS = -fPIC

3
src/MAKE/OPTIONS/Makefile.intel_cpu_mpich
View File

@ -7,7 +7,8 @@ SHELL = /bin/sh
# specify flags and libraries needed for your compiler
CC = mpicxx -cxx=icc
OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits
OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \
-qopt-zmm-usage=high
CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \
-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS)
SHFLAGS = -fPIC

3
src/MAKE/OPTIONS/Makefile.intel_cpu_openmpi
View File

@ -8,7 +8,8 @@ SHELL = /bin/sh
export OMPI_CXX = icc
CC = mpicxx
OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits
OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \
-qopt-zmm-usage=high
CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \
-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS)
SHFLAGS = -fPIC

2
src/USER-INTEL/pair_tersoff_intel.cpp
View File

@ -1372,7 +1372,7 @@ void IntelKernelTersoff<flt_t,acc_t,mic, pack_i>::attractive_vector(
fvec vrij_hatx = vrijinv * vdijx;
fvec vrij_haty = vrijinv * vdijy;
fvec vrij_hatz = vrijinv * vdijz;
fvec rikinv = invsqrt(rsq2);
fvec rikinv = v::invsqrt(rsq2);
fvec rik_hatx = rikinv * dikx;
fvec rik_haty = rikinv * diky;
fvec rik_hatz = rikinv * dikz;