Made lapack/MKL inclusion in code dependent on preprocessor macro 'MKL'. Automatic build should now succeed.

This commit is contained in:
François Coppens 2021-05-21 11:54:57 +02:00
parent 6c9c68c93d
commit c8df88b4ef
5 changed files with 49 additions and 7 deletions

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@ -22,12 +22,15 @@ else
First run: $$ source smvars.sh {intel | llvm | gnu}) First run: $$ source smvars.sh {intel | llvm | gnu})
endif endif
CXXFLAGS = $(OPT) $(ARCH) $(DEBUG) $(THRESHOLD) -fPIC CXXFLAGS = $(OPT) $(ARCH) $(DEBUG) $(THRESHOLD) -fPIC
ifeq ($(MKL),-DMKL)
CXXFLAGS += $(MKL)
LFLAGS = -mkl=sequential
H5LFLAGS = -L${MKLROOT}/lib/intel64 -Wl,--no-as-needed -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread -lm -ldl
endif
FFLAGS = $(CXXFLAGS) FFLAGS = $(CXXFLAGS)
H5CXX = h5c++ H5CXX = h5c++
H5CXXFLAGS = $(CXXFLAGS) H5CXXFLAGS = $(CXXFLAGS)
FLIBS = -lstdc++ FLIBS = -lstdc++
LFLAGS = -mkl=sequential
H5LFLAGS = -L${MKLROOT}/lib/intel64 -Wl,--no-as-needed -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread -lm -ldl
## Includes and dependencies ## Includes and dependencies
INCLUDE = -I $(INC_DIR)/ INCLUDE = -I $(INC_DIR)/

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@ -4,8 +4,9 @@
#include <cstring> #include <cstring>
#include <iostream> #include <iostream>
#include <string> #include <string>
#ifdef MKL
#include <mkl_lapacke.h> #include <mkl_lapacke.h>
#endif
// #define DEBUG // #define DEBUG
#ifndef THRESHOLD #ifndef THRESHOLD
@ -19,7 +20,9 @@ void selectLargestDenominator(unsigned int l, unsigned int N_updates,
unsigned int *Updates_index, unsigned int *p, unsigned int *Updates_index, unsigned int *p,
double ***ylk); double ***ylk);
#ifdef MKL
lapack_int inverse(double *A, unsigned n); lapack_int inverse(double *A, unsigned n);
#endif
template <typename T> void showScalar(T scalar, std::string name) { template <typename T> void showScalar(T scalar, std::string name) {
std::cout << name << " = " << scalar << std::endl << std::endl; std::cout << name << " = " << scalar << std::endl << std::endl;

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@ -1,7 +1,7 @@
#!/usr/bin/env bash #!/usr/bin/env bash
unset THRESHOLD unset THRESHOLD
unset MKL
ENV=$1 ENV=$1
THRESHOLD=$2
## Set Sherman-Morrison root dir ## Set Sherman-Morrison root dir
PWD=$(pwd) PWD=$(pwd)
@ -22,22 +22,26 @@ export SMROOT
## Set environment for hdf5-tools and Makefile ## Set environment for hdf5-tools and Makefile
case $ENV in case $ENV in
intel) intel)
echo "* SM build environment set to 'intel'"
export HDF5_CXX=icpc export HDF5_CXX=icpc
export HDF5_CXXLINKER=icpc export HDF5_CXXLINKER=icpc
export ENV=INTEL export ENV=INTEL
;; ;;
llvm) llvm)
echo "* SM build environment set to 'llvm'"
export HDF5_CXX=clang++ export HDF5_CXX=clang++
export HDF5_CXXLINKER=clang++ export HDF5_CXXLINKER=clang++
export ENV=LLVM export ENV=LLVM
;; ;;
vfc) vfc)
echo "* SM build environment set to 'vfc'"
export HDF5_CXX=clang++ export HDF5_CXX=clang++
export HDF5_CXXLINKER=clang++ export HDF5_CXXLINKER=clang++
export ENV=LLVM export ENV=LLVM
export VFC_BACKENDS="libinterflop_ieee.so --count-op" export VFC_BACKENDS="libinterflop_ieee.so --count-op"
;; ;;
gnu) gnu)
echo "* SM build environment set to 'gnu'"
export HDF5_CXX=g++ export HDF5_CXX=g++
export HDF5_CXXLINKER=g++ export HDF5_CXXLINKER=g++
export ENV=GNU export ENV=GNU
@ -45,7 +49,10 @@ case $ENV in
*) *)
echo "Unknown environment descriptor given." echo "Unknown environment descriptor given."
echo "Usage: source smvars.sh {intel | llvm | vfc | gnu}" echo "Usage: source smvars.sh {intel | llvm | vfc | gnu}"
echo "Usage: source smvars.sh {intel | llvm | vfc | gnu} [mkl]"
echo "Usage: source smvars.sh {intel | llvm | vfc | gnu} [threshold]" echo "Usage: source smvars.sh {intel | llvm | vfc | gnu} [threshold]"
echo "Usage: source smvars.sh {intel | llvm | vfc | gnu} [mkl] [threshold]"
echo "Usage: source smvars.sh {intel | llvm | vfc | gnu} [threshold] [mkl]"
return 1 return 1
;; ;;
esac esac
@ -57,8 +64,33 @@ then
export SMVARS=true export SMVARS=true
fi fi
## If a threshold is provided, export compiler flag ## Argument parsing
if [[ $# -gt 1 ]] if [[ $# -eq 1 ]]
then then
export THRESHOLD="-DTHRESHOLD=$THRESHOLD" echo "* Default threshold of '1e-3' will be used in next build."
fi fi
if [[ $# -eq 2 ]]
then
if [[ $2 == mkl ]]
then
echo "* oneMKL-dependent parts of the code are enable in next build."
echo "* Default threshold of '1e-3' will be used in next build."
export MKL="-DMKL"
else
echo "* Threshold of '$2' will be used in next build."
export THRESHOLD="-DTHRESHOLD=$2"
fi
fi
if [[ $# -eq 3 ]]
then
echo "* oneMKL-dependent parts of the code are enable in next build."
export MKL="-DMKL"
if [[ $2 == mkl ]]
then
echo "* Threshold of '$3' will be used in next build."
export THRESHOLD="-DTHRESHOLD=$3"
else
echo "* Threshold of '$2' will be used in next build."
export THRESHOLD="-DTHRESHOLD=$2"
fi
fi

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@ -40,6 +40,7 @@ void selectLargestDenominator(unsigned int l, unsigned int N_updates,
Switch(p, l, lbar); Switch(p, l, lbar);
} }
#ifdef MKL
// Inplace inverse n x n matrix A. // Inplace inverse n x n matrix A.
// returns: // returns:
// ret = 0 on success // ret = 0 on success
@ -57,3 +58,4 @@ lapack_int inverse(double *A, unsigned n) {
ret = LAPACKE_dgetri(LAPACK_COL_MAJOR, n, A, n, ipiv); ret = LAPACKE_dgetri(LAPACK_COL_MAJOR, n, A, n, ipiv);
return ret; return ret;
} }
#endif

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@ -81,9 +81,11 @@ int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
SM3(slater_inverse, dim, nupdates, u, col_update_index); SM3(slater_inverse, dim, nupdates, u, col_update_index);
} else if (version == "sm4") { } else if (version == "sm4") {
SM4(slater_inverse, dim, nupdates, u, col_update_index); SM4(slater_inverse, dim, nupdates, u, col_update_index);
#ifdef MKL
} else if (version == "lapack") { } else if (version == "lapack") {
memcpy(slater_inverse, slater_matrix, dim * dim * sizeof(double)); memcpy(slater_inverse, slater_matrix, dim * dim * sizeof(double));
inverse(slater_inverse, dim); inverse(slater_inverse, dim);
#endif
} else { } else {
std::cerr << "Unknown version " << version << std::endl; std::cerr << "Unknown version " << version << std::endl;
exit(1); exit(1);