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https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-08-25 14:41:45 +02:00
- Cleaned up unnecessary symlinks
- Switched Intel compiler back to icpx
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2
Makefile
2
Makefile
@ -1,6 +1,6 @@
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## Compilers, compiler flags & external libs
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## Compilers, compiler flags & external libs
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ifeq ($(ENV),INTEL)
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ifeq ($(ENV),INTEL)
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CXX = icpc
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CXX = icpx
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FC = ifort
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FC = ifort
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ARCH = -march=native
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ARCH = -march=native
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OPT = -O3
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OPT = -O3
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@ -1 +0,0 @@
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qmckl/build/lib/libqmckl.a
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@ -1 +0,0 @@
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qmckl/build/lib/libqmckl.la
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@ -1 +0,0 @@
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qmckl/build/lib/libqmckl.so
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@ -1 +0,0 @@
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qmckl/build/lib/libqmckl.so.0
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@ -1 +0,0 @@
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qmckl/build/lib/libqmckl.so.0.0.0
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28
main.cpp
28
main.cpp
@ -1,28 +0,0 @@
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#include "qmckl.h"
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#include "assert.h"
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#ifdef HAVE_CONFIG_H
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#include "config.h"
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#endif
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#include <math.h>
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#ifndef THRESHOLD
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#define THRESHOLD 1e-3
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#endif
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int main() {
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qmckl_context context;
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context = qmckl_context_create();
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qmckl_exit_code rc;
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const uint64_t Dim = 2;
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const uint64_t N_updates = 2;
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const uint64_t Updates_index[2] = {0, 0};
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const double Updates[4] = {0.0, 0.0, 0.0, 0.0};
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double Slater_inv[4] = {0.0, 0.0, 0.0, 0.0};
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rc = qmckl_sherman_morrison_c(context, Dim, N_updates, Updates, Updates_index, Slater_inv);
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assert(rc == QMCKL_SUCCESS);
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assert (qmckl_context_destroy(context) == QMCKL_SUCCESS);
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return 0;
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}
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@ -27,9 +27,9 @@ export SMROOT
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case $ENV in
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case $ENV in
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intel)
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intel)
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echo "* SM build environment set to 'intel'"
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echo "* SM build environment set to 'intel'"
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export HDF5_CXX=icpc
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export HDF5_CXX=icpx
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export HDF5_CXXLINKER=icpc
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export HDF5_CXXLINKER=icpx
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export HDF5_CLINKER=icpc
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export HDF5_CLINKER=icpx
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export ENV=INTEL
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export ENV=INTEL
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;;
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;;
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llvm)
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llvm)
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