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70 changes: 34 additions & 36 deletions examples/dbcsr_tensor_example_2.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -148,28 +148,29 @@ int main(int argc, char* argv[]) {
}

// block sizes
std::vector<int> blk1, blk2, blk3, blk4, blk5;
// blk indices of non-zero blocks
std::vector<int> nz11, nz12, nz13, nz21, nz22, nz24, nz25, nz33, nz34, nz35;

blk1 = {3, 9, 12, 1};
blk2 = {4, 2, 3, 1, 9, 2, 32, 10, 5, 8, 7};
blk3 = {7, 3, 8, 7, 9, 5, 10, 23, 2};
blk4 = {8, 1, 4, 13, 6};
blk5 = {4, 2, 22};

nz11 = {0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3};
nz12 = {2, 4, 4, 4, 5, 5, 6, 7, 9, 10, 10, 0, 0, 3, 6, 6, 8, 9, 1, 1, 4, 5, 7, 7, 8, 10, 10, 1, 3, 4, 4, 7};
nz13 = {6, 2, 4, 8, 5, 7, 1, 7, 2, 1, 2, 0, 3, 5, 1, 6, 4, 7, 2, 6, 0, 3, 2, 6, 7, 4, 7, 8, 5, 0, 1, 6};
std::vector<int> blk1 = {3, 9, 12, 1};
std::vector<int> blk2 = {4, 2, 3, 1, 9, 2, 32, 10, 5, 8, 7};
std::vector<int> blk3 = {7, 3, 8, 7, 9, 5, 10, 23, 2};
std::vector<int> blk4 = {8, 1, 4, 13, 6};
std::vector<int> blk5 = {4, 2, 22};

nz21 = {0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3};
nz22 = {0, 2, 3, 5, 9, 1, 1, 3, 4, 4, 5, 5, 5, 6, 6, 8, 8, 8, 9, 10, 0, 2, 2, 3, 4, 5, 7, 8, 10, 10, 0, 2, 3, 5, 9, 10};
nz24 = {2, 4, 1, 2, 1, 2, 4, 0, 0, 3, 1, 2, 3, 0, 3, 2, 3, 3, 1, 0, 2, 0, 0, 2, 3, 2, 3, 1, 1, 2, 0, 0, 2, 1, 4, 4};
nz25 = {0, 2, 1, 0, 0, 1, 2, 0, 2, 0, 1, 2, 1, 0, 2, 1, 2, 1, 0, 1, 2, 0, 1, 2, 1, 1, 1, 2, 0, 1, 0, 2, 1, 0, 2, 1};

nz33 = {1, 3, 4, 4, 4, 5, 5, 7};
nz34 = {2, 1, 0, 0, 2, 1, 3, 4};
nz35 = {2, 1, 0, 1, 2, 1, 0, 0};
// blk indices of non-zero blocks
std::vector<int> nz11 = {0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3};
std::vector<int> nz12 = {2, 4, 4, 4, 5, 5, 6, 7, 9, 10, 10, 0, 0, 3, 6, 6, 8, 9, 1, 1, 4, 5, 7, 7, 8, 10, 10, 1, 3, 4, 4, 7};
std::vector<int> nz13 = {6, 2, 4, 8, 5, 7, 1, 7, 2, 1, 2, 0, 3, 5, 1, 6, 4, 7, 2, 6, 0, 3, 2, 6, 7, 4, 7, 8, 5, 0, 1, 6};

std::vector<int> nz21 = {
0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3};
std::vector<int> nz22 = {
0, 2, 3, 5, 9, 1, 1, 3, 4, 4, 5, 5, 5, 6, 6, 8, 8, 8, 9, 10, 0, 2, 2, 3, 4, 5, 7, 8, 10, 10, 0, 2, 3, 5, 9, 10};
std::vector<int> nz24 = {
2, 4, 1, 2, 1, 2, 4, 0, 0, 3, 1, 2, 3, 0, 3, 2, 3, 3, 1, 0, 2, 0, 0, 2, 3, 2, 3, 1, 1, 2, 0, 0, 2, 1, 4, 4};
std::vector<int> nz25 = {
0, 2, 1, 0, 0, 1, 2, 0, 2, 0, 1, 2, 1, 0, 2, 1, 2, 1, 0, 1, 2, 0, 1, 2, 1, 1, 1, 2, 0, 1, 0, 2, 1, 0, 2, 1};

std::vector<int> nz33 = {1, 3, 4, 4, 4, 5, 5, 7};
std::vector<int> nz34 = {2, 1, 0, 0, 2, 1, 3, 4};
std::vector<int> nz35 = {2, 1, 0, 1, 2, 1, 0, 0};

// (13|2)x(54|21)=(3|45)
// distribute blocks
Expand Down Expand Up @@ -223,14 +224,12 @@ int main(int argc, char* argv[]) {
dbcsr_t_distribution dist3 = nullptr;

// (13|2)x(54|21)=(3|45)
std::vector<int> map11, map12, map21, map22, map31, map32;

map11 = {0, 2};
map12 = {1};
map21 = {3, 2};
map22 = {1, 0};
map31 = {0};
map32 = {1, 2};
std::vector<int> map11 = {0, 2};
std::vector<int> map12 = {1};
std::vector<int> map21 = {3, 2};
std::vector<int> map22 = {1, 0};
std::vector<int> map31 = {0};
std::vector<int> map32 = {1, 2};

if (mpi_rank == 0) std::cout << "Creating dist objects..." << '\n' << std::endl;

Expand Down Expand Up @@ -286,13 +285,12 @@ int main(int argc, char* argv[]) {
// cn : indices to be contracted
// noncn : indices not to be contracted
// mapn : how nonc indices map to tensor 3
std::vector<int> c1, nonc1, c2, nonc2, map1, map2;
c1 = {0, 1};
nonc1 = {2};
c2 = {0, 1};
nonc2 = {2, 3};
map1 = {0};
map2 = {1, 2};
std::vector<int> c1 = {0, 1};
std::vector<int> nonc1 = {2};
std::vector<int> c2 = {0, 1};
std::vector<int> nonc2 = {2, 3};
std::vector<int> map1 = {0};
std::vector<int> map2 = {1, 2};

int unit_nr = -1;
if (mpi_rank == 0) unit_nr = 6;
Expand Down
70 changes: 34 additions & 36 deletions tests/dbcsr_tensor_test.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -155,28 +155,29 @@ int main(int argc, char* argv[]) {


// block sizes
std::vector<int> blk1, blk2, blk3, blk4, blk5;
// blk indices of non-zero blocks
std::vector<int> nz11, nz12, nz13, nz21, nz22, nz24, nz25, nz33, nz34, nz35;

blk1 = {3, 9, 12, 1};
blk2 = {4, 2, 3, 1, 9, 2, 32, 10, 5, 8, 7};
blk3 = {7, 3, 8, 7, 9, 5, 10, 23, 2};
blk4 = {8, 1, 4, 13, 6};
blk5 = {4, 2, 22};

nz11 = {0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3};
nz12 = {2, 4, 4, 4, 5, 5, 6, 7, 9, 10, 10, 0, 0, 3, 6, 6, 8, 9, 1, 1, 4, 5, 7, 7, 8, 10, 10, 1, 3, 4, 4, 7};
nz13 = {6, 2, 4, 8, 5, 7, 1, 7, 2, 1, 2, 0, 3, 5, 1, 6, 4, 7, 2, 6, 0, 3, 2, 6, 7, 4, 7, 8, 5, 0, 1, 6};
std::vector<int> blk1 = {3, 9, 12, 1};
std::vector<int> blk2 = {4, 2, 3, 1, 9, 2, 32, 10, 5, 8, 7};
std::vector<int> blk3 = {7, 3, 8, 7, 9, 5, 10, 23, 2};
std::vector<int> blk4 = {8, 1, 4, 13, 6};
std::vector<int> blk5 = {4, 2, 22};

nz21 = {0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3};
nz22 = {0, 2, 3, 5, 9, 1, 1, 3, 4, 4, 5, 5, 5, 6, 6, 8, 8, 8, 9, 10, 0, 2, 2, 3, 4, 5, 7, 8, 10, 10, 0, 2, 3, 5, 9, 10};
nz24 = {2, 4, 1, 2, 1, 2, 4, 0, 0, 3, 1, 2, 3, 0, 3, 2, 3, 3, 1, 0, 2, 0, 0, 2, 3, 2, 3, 1, 1, 2, 0, 0, 2, 1, 4, 4};
nz25 = {0, 2, 1, 0, 0, 1, 2, 0, 2, 0, 1, 2, 1, 0, 2, 1, 2, 1, 0, 1, 2, 0, 1, 2, 1, 1, 1, 2, 0, 1, 0, 2, 1, 0, 2, 1};

nz33 = {1, 3, 4, 4, 4, 5, 5, 7};
nz34 = {2, 1, 0, 0, 2, 1, 3, 4};
nz35 = {2, 1, 0, 1, 2, 1, 0, 0};
// blk indices of non-zero blocks
std::vector<int> nz11 = {0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3};
std::vector<int> nz12 = {2, 4, 4, 4, 5, 5, 6, 7, 9, 10, 10, 0, 0, 3, 6, 6, 8, 9, 1, 1, 4, 5, 7, 7, 8, 10, 10, 1, 3, 4, 4, 7};
std::vector<int> nz13 = {6, 2, 4, 8, 5, 7, 1, 7, 2, 1, 2, 0, 3, 5, 1, 6, 4, 7, 2, 6, 0, 3, 2, 6, 7, 4, 7, 8, 5, 0, 1, 6};

std::vector<int> nz21 = {
0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3};
std::vector<int> nz22 = {
0, 2, 3, 5, 9, 1, 1, 3, 4, 4, 5, 5, 5, 6, 6, 8, 8, 8, 9, 10, 0, 2, 2, 3, 4, 5, 7, 8, 10, 10, 0, 2, 3, 5, 9, 10};
std::vector<int> nz24 = {
2, 4, 1, 2, 1, 2, 4, 0, 0, 3, 1, 2, 3, 0, 3, 2, 3, 3, 1, 0, 2, 0, 0, 2, 3, 2, 3, 1, 1, 2, 0, 0, 2, 1, 4, 4};
std::vector<int> nz25 = {
0, 2, 1, 0, 0, 1, 2, 0, 2, 0, 1, 2, 1, 0, 2, 1, 2, 1, 0, 1, 2, 0, 1, 2, 1, 1, 1, 2, 0, 1, 0, 2, 1, 0, 2, 1};

std::vector<int> nz33 = {1, 3, 4, 4, 4, 5, 5, 7};
std::vector<int> nz34 = {2, 1, 0, 0, 2, 1, 3, 4};
std::vector<int> nz35 = {2, 1, 0, 1, 2, 1, 0, 0};

// (13|2)x(54|21)=(3|45)
// distribute blocks
Expand Down Expand Up @@ -231,14 +232,12 @@ int main(int argc, char* argv[]) {
void* dist3 = nullptr;

// (13|2)x(54|21)=(3|45)
std::vector<int> map11, map12, map21, map22, map31, map32;

map11 = {0, 2};
map12 = {1};
map21 = {3, 2};
map22 = {1, 0};
map31 = {0};
map32 = {1, 2};
std::vector<int> map11 = {0, 2};
std::vector<int> map12 = {1};
std::vector<int> map21 = {3, 2};
std::vector<int> map22 = {1, 0};
std::vector<int> map31 = {0};
std::vector<int> map32 = {1, 2};

if (mpi_rank == 0) std::cout << "Creating dist objects..." << '\n' << std::endl;

Expand Down Expand Up @@ -290,13 +289,12 @@ int main(int argc, char* argv[]) {
// cn : indices to be contracted
// noncn : indices not to be contracted
// mapn : how nonc indices map to tensor 3
std::vector<int> c1, nonc1, c2, nonc2, map1, map2;
c1 = {0, 1};
nonc1 = {2};
c2 = {0, 1};
nonc2 = {2, 3};
map1 = {0};
map2 = {1, 2};
std::vector<int> c1 = {0, 1};
std::vector<int> nonc1 = {2};
std::vector<int> c2 = {0, 1};
std::vector<int> nonc2 = {2, 3};
std::vector<int> map1 = {0};
std::vector<int> map2 = {1, 2};


int unit_nr = -1;
Expand Down
18 changes: 15 additions & 3 deletions tools/fedora/dbcsr.spec
Original file line number Diff line number Diff line change
@@ -1,4 +1,5 @@
# Currently does not build with opencl/libxsmm
# OpenCL support requires packaged libxs/libxstream/libxsmm dependencies.
# Keep it disabled until those packages are available in Fedora.
%bcond_with opencl

# No openmpi on i668 with openmpi 5 in Fedora 40+
Expand Down Expand Up @@ -26,6 +27,8 @@ BuildRequires: gcc-gfortran
BuildRequires: make
BuildRequires: flexiblas-devel
%if %{with opencl}
BuildRequires: libxs-devel
BuildRequires: libxstream-devel
BuildRequires: libxsmm-devel
%endif
BuildRequires: python3-fypp
Expand Down Expand Up @@ -109,15 +112,24 @@ export CXXFLAGS="%{optflags} -fPIC"
export FFLAGS="%{optflags} -fPIC"
%cmake \
-DCMAKE_INSTALL_Fortran_MODULES=%{_fmoddir} \
-DBUILD_SHARED_LIBS=ON \
-DBUILD_TESTING=ON \
-DUSE_MPI=OFF \
%{?with_opencl:-DUSE_ACCEL=opencl -DUSE_SMM=libxsmm}
-DUSE_LIBXS=OFF \
-DUSE_LIBXSMM=OFF \
%{?with_opencl:-DUSE_ACCEL=opencl -DUSE_LIBXS=ON -DUSE_LIBXSMM=ON}
%cmake_build
for mpi in %{mpi_list}
do
module load mpi/$mpi-%{_arch}
%cmake \
-DCMAKE_INSTALL_Fortran_MODULES=$MPI_FORTRAN_MOD_DIR \
%{?with_opencl:-DUSE_ACCEL=opencl -DUSE_SMM=libxsmm} \
-DBUILD_SHARED_LIBS=ON \
-DBUILD_TESTING=ON \
-DUSE_MPI=ON \
-DUSE_LIBXS=OFF \
-DUSE_LIBXSMM=OFF \
%{?with_opencl:-DUSE_ACCEL=opencl -DUSE_LIBXS=ON -DUSE_LIBXSMM=ON} \
-DCMAKE_INSTALL_PREFIX:PATH=$MPI_HOME \
-DCMAKE_INSTALL_LIBDIR:PATH=$MPI_LIB \
-DUSE_MPI_F08=ON \
Expand Down
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