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https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-08-25 06:31:44 +02:00
Trying to fix linking against QMCkl.
This commit is contained in:
parent
8961f78ea2
commit
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4
Makefile
4
Makefile
@ -1,6 +1,6 @@
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## Compilers, compiler flags & external libs
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ifeq ($(ENV),INTEL)
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CXX = icpx
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CXX = icpc
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FC = ifort
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ARCH = -march=native
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OPT = -O3
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@ -51,7 +51,7 @@ DEPS_F = $(DEPS_CXX) \
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$(OBJ_DIR)/helpers_mod.o
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## QMCkl includes and linking
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QMCKL_INCLUDE = -I $(SMROOT)/qmckl/build/include/
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QMCKL_INCLUDE = -I $(SMROOT)/qmckl/build/include
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QMCKLLFLAGS = -L$(SMROOT)/qmckl/build/lib -lqmckl
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1
libqmckl.a
Symbolic link
1
libqmckl.a
Symbolic link
@ -0,0 +1 @@
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qmckl/build/lib/libqmckl.a
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1
libqmckl.la
Symbolic link
1
libqmckl.la
Symbolic link
@ -0,0 +1 @@
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qmckl/build/lib/libqmckl.la
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1
libqmckl.so
Symbolic link
1
libqmckl.so
Symbolic link
@ -0,0 +1 @@
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qmckl/build/lib/libqmckl.so
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1
libqmckl.so.0
Symbolic link
1
libqmckl.so.0
Symbolic link
@ -0,0 +1 @@
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qmckl/build/lib/libqmckl.so.0
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1
libqmckl.so.0.0.0
Symbolic link
1
libqmckl.so.0.0.0
Symbolic link
@ -0,0 +1 @@
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qmckl/build/lib/libqmckl.so.0.0.0
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28
main.cpp
Normal file
28
main.cpp
Normal file
@ -0,0 +1,28 @@
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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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2
qmckl
2
qmckl
@ -1 +1 @@
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Subproject commit 7b2a8caeabadb7724b9d7c8b0498e7ea71b7b992
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Subproject commit 04d2ec2d7098f2ac3f8e1539ab139aa35dfabe45
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@ -27,9 +27,9 @@ export SMROOT
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case $ENV in
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intel)
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echo "* SM build environment set to 'intel'"
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export HDF5_CXX=icpx
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export HDF5_CXXLINKER=icpx
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export HDF5_CLINKER=icpx
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export HDF5_CXX=icpc
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export HDF5_CXXLINKER=icpc
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export HDF5_CLINKER=icpc
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export ENV=INTEL
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;;
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llvm)
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@ -1,37 +1,41 @@
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#include "hdf5/serial/H5Cpp.h"
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#include "hdf5/serial/hdf5.h"
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#include "Helpers.hpp"
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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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#include "cstring"
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#include "iostream"
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#include "Helpers.hpp"
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#define PERF
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#ifdef PERF
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unsigned int repetition_number;
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#endif
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using namespace H5;
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// #define DEBUG
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const H5std_string FILE_NAME("dataset.hdf5");
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void read_int(H5File file, std::string key, uint64_t *data) {
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DataSet ds = file.openDataSet(key);
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ds.read(data, PredType::STD_U32LE);
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void read_int(H5::H5File file, std::string key, uint64_t *data) {
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H5::DataSet ds = file.openDataSet(key);
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ds.read(data, H5::PredType::STD_U32LE);
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ds.close();
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}
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void read_double(H5File file, std::string key, double *data) {
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DataSet ds = file.openDataSet(key);
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ds.read(data, PredType::IEEE_F64LE);
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void read_double(H5::H5File file, std::string key, double *data) {
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H5::DataSet ds = file.openDataSet(key);
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ds.read(data, H5::PredType::IEEE_F64LE);
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ds.close();
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}
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int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
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int test_cycle(H5::H5File file, int cycle, std::string version, double tolerance) {
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/* Read the data */
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@ -76,14 +80,32 @@ int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
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for (unsigned int i = 0; i < repetition_number; i++) {
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memcpy(slater_inverse_nonpersistent, slater_inverse,
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dim * dim * sizeof(double));
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qmckl_exit_code sherman_morrison_exit;
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qmckl_context context;
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sherman_morrison_exit = qmckl_sherman_morrison_c(context,
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dim,
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nupdates,
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u,
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col_update_index,
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slater_inverse_nonpersistent);
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context = qmckl_context_create();
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qmckl_exit_code rc;
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// const uint64_t cdim = dim;
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// const uint64_t cnupdates = nupdates;
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// const uint64_t* ccol_update_index = col_update_index;
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// const double* cu = u;
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// rc = qmckl_sherman_morrison_c(
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// context,
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// cdim,
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// cnupdates,
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// cu,
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// ccol_update_index,
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// slater_inverse_nonpersistent);
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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,
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Dim,
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N_updates,
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Updates,
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Updates_index,
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Slater_inv);
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assert(rc == QMCKL_SUCCESS);
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}
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}
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else {
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@ -148,7 +170,7 @@ int main(int argc, char **argv) {
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int start_cycle = std::stoi(argv[2]);
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int stop_cycle = std::stoi(argv[3]);
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double tolerance = std::stod(argv[4]);
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H5File file(FILE_NAME, H5F_ACC_RDONLY);
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H5::H5File file(FILE_NAME, H5F_ACC_RDONLY);
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#ifdef PERF
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repetition_number = std::stoi(argv[5]);
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