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https://github.com/TREX-CoE/Sherman-Morrison.git
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225c841a88
* Started debugging reading from HDF5 formatted datasets. Slater_inv needs to be transposed before sent to Maponi. Algo fails at the last step. Correct Slater and Inverse fail to produce the identity matrix. Suspect that the matMul function is not working correctly eventhough it looks like it does.
69 lines
1.8 KiB
Makefile
69 lines
1.8 KiB
Makefile
# ARCH = -xCORE-AVX2
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## Used compilers
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H5CXX = h5c++
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CXX = icpc
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FC = ifort
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## Compiler flags & common obs & libs
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H5CXXFLAGS = -O0 -g
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CXXFLAGS = -O0 -g -traceback
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FFLAGS = -O0 -g -traceback
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FLIBS = -lstdc++
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OBJS = SM_MaponiA3.o
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## Deps & objs for C++ cMaponiA3_test_3x3_3
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cMaponiA3_test_3x3_3OBJ = cMaponiA3_test_3x3_3.o
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fMaponiA3_test_3x3_3OBJ = SM_MaponiA3_mod.o fMaponiA3_test_3x3_3.o
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fMaponiA3_test_4x4_2OBJ = Helpers_mod.o SM_MaponiA3_mod.o fMaponiA3_test_4x4_2.o
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QMCChem_dataset_testOBJ = Helpers_mod.o SM_MaponiA3_mod.o QMCChem_dataset_test.o
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## Default build target: build everything
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all: cMaponiA3_test_3x3_3 fMaponiA3_test_3x3_3 fMaponiA3_test_4x4_2 QMCChem_dataset_test tests/test
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## Compile recipes for C++
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%.o: %.cpp
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$(CXX) $(ARCH) $(CXXFLAGS) -c -o $@ $<
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## Compile recepies for Fortran
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%.o: %.f90
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$(FC) $(ARCH) $(FFLAGS) -c -o $@ $<
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## Explicit recipe to trigger rebuild and relinking when headerfile is changed
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SM_MaponiA3.o: SM_MaponiA3.cpp Helpers.hpp
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$(CXX) $(ARCH) $(CXXFLAGS) -fPIC -c -o $@ $<
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## Build tagets
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.PHONY: all clean distclean
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clean:
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@rm -vf *.o *.mod
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distclean: clean
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@rm -vf cMaponiA3_test_3x3_3 \
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fMaponiA3_test_3x3_3 fMaponiA3_test_4x4_2 \
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QMCChem_dataset_test \
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Slater* Updates.dat \
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tests/test
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## Linking the C++ example program
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cMaponiA3_test_3x3_3: $(cMaponiA3_test_3x3_3OBJ) $(OBJS)
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$(CXX) $(ARCH) $(CXXFLAGS) -o $@ $^
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## Linking Fortran example program calling the C++ function
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fMaponiA3_test_3x3_3: $(fMaponiA3_test_3x3_3OBJ) $(OBJS)
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$(FC) $(ARCH) $(FFLAGS) $(FLIBS) -o $@ $^
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fMaponiA3_test_4x4_2: $(fMaponiA3_test_4x4_2OBJ) $(OBJS)
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$(FC) $(ARCH) $(FFLAGS) $(FLIBS) -o $@ $^
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QMCChem_dataset_test: $(QMCChem_dataset_testOBJ) $(OBJS)
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$(FC) $(ARCH) $(FFLAGS) $(FLIBS) -o $@ $^
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tests/test: tests/test.cpp SM_MaponiA3.o
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$(H5CXX) $(ARCH) $(H5CXXFLAGS) -o $@ $^
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