Loading .gitlab-ci.yml +69 −21 Original line number Original line Diff line number Diff line Loading @@ -29,11 +29,9 @@ compatibility_stage: allow_failure: true allow_failure: true artifacts: artifacts: paths: paths: - build/cluster/* - build_* - build/sphere/* - build_*/* - build/testing/* - build_*/*/* - build/trapping/* - build/libnptm/* exclude: exclude: - ".git*" - ".git*" - ".git/**/*" - ".git/**/*" Loading @@ -46,25 +44,71 @@ compatibility_stage: - echo $CI_COMMIT_BRANCH - echo $CI_COMMIT_BRANCH - echo "Getting system info ..." - echo "Getting system info ..." - cat /etc/os-release - cat /etc/os-release - cd src - echo "Running make with gnu compilers version 11..." - echo "Running make with gnu compilers version 11..." - make clean && BUILDDIR=$PWD/../build_gnu11 CXX=g++-11 FC=gfortran-11 make -j - mkdir build_gnu11 - cd build_gnu11 - cp -r ../build/* . - CXX=g++-11 F77=gfortran-11 ./configure - make clean - make -j - echo "Running make with gnu compilers version 12..." - echo "Running make with gnu compilers version 12..." - make clean && BUILDDIR=$PWD/../build_gnu12 CXX=g++-12 FC=gfortran-12 make -j - cd .. - mkdir build_gnu12 - cd build_gnu12 - cp -r ../build/* . - CXX=g++-12 F77=gfortran-12 ./configure - make clean - make -j - echo "Running make with gnu compilers version 13..." - echo "Running make with gnu compilers version 13..." - make clean && BUILDDIR=$PWD/../build_gnu13 CXX=g++-13 FC=gfortran-13 make -j - cd .. - mkdir build_gnu13 - cd build_gnu13 - cp -r ../build/* . - CXX=g++-13 F77=gfortran-13 ./configure - make clean - make -j - echo "Running make with gnu compilers version 14..." - echo "Running make with gnu compilers version 14..." - make clean && BUILDDIR=$PWD/../build_gnu14 CXX=g++-14 FC=gfortran-14 make -j - cd .. - mkdir build_gnu14 - cd build_gnu14 - cp -r ../build/* . - CXX=g++-14 F77=gfortran-14 ./configure - make clean - make -j - echo "Running make with flang version 16 and clang version 16..." - echo "Running make with flang version 16 and clang version 16..." - make clean && BUILDDIR=$PWD/../build_clang16 CXX="clang++-16 -stdlib=libstdc++ -I/usr/include/c++/13 -I/usr/include/x86_64-linux-gnu/c++/13" FC=flang-new-16 FCFLAGS=-O3 LDFLAGS="-L/usr/lib/llvm-16/lib -L/usr/lib/gcc/x86_64-linux-gnu/13" make -j - cd .. - mkdir build_clang16 - cd build_clang16 - cp -r ../build/* . - CXX=clang++-16 F77=flang-new-16 ./configure --with-fflags="-O3" --with-include="-I/usr/include/c++/13 -I/usr/include/x86_64-linux-gnu/c++/13" --with-ldflags="-L/usr/lib/llvm-16/lib -L/usr/lib/gcc/x86_64-linux-gnu/13" - make clean - make -j - echo "Running make with flang version 17 and clang version 17..." - echo "Running make with flang version 17 and clang version 17..." - make clean && BUILDDIR=$PWD/../build_clang17 CXX="clang++-17 -stdlib=libstdc++ -I/usr/include/c++/13 -I/usr/include/x86_64-linux-gnu/c++/13" FC=flang-new-17 FCFLAGS=-O3 LDFLAGS="-L/usr/lib/llvm-17/lib -L/usr/lib/gcc/x86_64-linux-gnu/13" make -j - cd .. - mkdir build_clang17 - cd build_clang17 - cp -r ../build/* . - CXX=clang++-17 F77=flang-new-17 ./configure --with-fflags="-O3" --with-include="-I/usr/include/c++/13 -I/usr/include/x86_64-linux-gnu/c++/13" --with-ldflags="-L/usr/lib/llvm-17/lib -L/usr/lib/gcc/x86_64-linux-gnu/13" - make clean - make -j - echo "Running make with Intel ifort and Intel icpx..." - echo "Running make with Intel ifort and Intel icpx..." - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.2/lib PATH=/opt/intel/oneapi/compiler/2024.2/bin:$PATH BUILDDIR=$PWD/../build_ifort-icpx CXX=icpx FC=ifort FCFLAGS="-O3 -diag-disable=10448" make -j - cd .. - mkdir build_ifort_icpx - cd build_ifort_icpx - cp -r ../build/* . - LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.2/lib PATH=/opt/intel/oneapi/compiler/2024.2/bin:$PATH CXX=icpx F77=ifort ./configure --with-fflags="-O3 -diag-disable=10448" - make clean - make -j - echo "Running make with Intel ifx and Intel icpx..." - echo "Running make with Intel ifx and Intel icpx..." - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.2/lib PATH=/opt/intel/oneapi/compiler/2024.2/bin:$PATH BUILDDIR=$PWD/../build_ifx-icpx CXX=icpx FC=ifx FCFLAGS=-O3 make -j - cd .. - echo "Running make with default MPI compilers" - mkdir build_ifx_icpx - make clean && BUILDDIR=$PWD/../build_mpi CXX=mpicxx FC=mpif90 USE_MPI=1 make -j - cd build_ifx_icpx - cp -r ../build/* . - LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.2/lib PATH=/opt/intel/oneapi/compiler/2024.2/bin:$PATH CXX=icpx F77=ifx ./configure --with-fflags="-O3" - make clean - make -j #- echo "Running make with default MPI compilers" #- make clean && BUILDDIR=$PWD/../build_mpi CXX=mpicxx FC=mpif90 USE_MPI=1 make -j building_stage: building_stage: stage: build stage: build Loading @@ -90,9 +134,13 @@ building_stage: - echo $CI_COMMIT_BRANCH - echo $CI_COMMIT_BRANCH - echo "Getting system info ..." - echo "Getting system info ..." - cat /etc/os-release - cat /etc/os-release - cd src - cd build - echo "Running make with default compilers..." - echo "Configuring with default compilers (MAGMA disabled)..." - make clean && USE_LAPACK=1 USE_ILP64=1 make -j - ./configure --without-magma - make clean - echo "Building default configuration..." - make -j - echo "Building documentation..." - make docs -j && make -C ../doc/build/latex -j - make docs -j && make -C ../doc/build/latex -j running_stage: running_stage: Loading Loading @@ -125,7 +173,7 @@ running_stage: - cd ../cluster - cd ../cluster - echo "Running np_cluster" - echo "Running np_cluster" - chmod +x np_cluster - chmod +x np_cluster - ./np_cluster - OMP_NUM_THREADS=1 ./np_cluster testing_stage: testing_stage: stage: test stage: test Loading Loading @@ -162,7 +210,7 @@ testing_stage: - export FFILE=../../test_data/cluster/OCLU - export FFILE=../../test_data/cluster/OCLU - python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html - python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html - echo "Testing cluster with 24 spheres" - echo "Testing cluster with 24 spheres" - ./np_cluster ../../test_data/cluster/DEDFB_24 ../../test_data/cluster/DCLU_24 . - OMP_NUM_THREADS=1 mpirun -n 2 ./np_cluster ../../test_data/cluster/DEDFB_24 ../../test_data/cluster/DCLU_24 . - echo "Comparing output of CLUSTER with 24 spheres" - echo "Comparing output of CLUSTER with 24 spheres" - export FFILE=../../test_data/cluster/OCLU_24 - export FFILE=../../test_data/cluster/OCLU_24 - python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html - python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html Loading build/Makefile.am +2 −3 Original line number Original line Diff line number Diff line AUTOMAKE_OPTIONS=subdir-objects AUTOMAKE_OPTIONS=subdir-objects LDADD=libnptm/libnptm.la -L/usr/lib64 ${HDF5_LDFLAGS} ${LAPACKLDFLAGS} ${MAGMALDFLAGS} LDADD=libnptm/libnptm.la -L/usr/lib64 ${USER_LDFLAGS} ${HDF5_LDFLAGS} ${LAPACKLDFLAGS} ${MAGMALDFLAGS} lib_LTLIBRARIES=libnptm/libnptm.la lib_LTLIBRARIES=libnptm/libnptm.la libnptm_libnptm_la_SOURCES=../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp ../src/libnptm/types.cpp libnptm_libnptm_la_SOURCES=../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp ../src/libnptm/types.cpp bin_PROGRAMS=cluster/edfb_clu cluster/clu cluster/np_cluster sphere/edfb_sph sphere/sph sphere/np_sphere trapping/frfme trapping/lffft trapping/np_trapping bin_PROGRAMS=cluster/edfb_clu cluster/clu cluster/np_cluster sphere/edfb_sph sphere/sph sphere/np_sphere trapping/frfme trapping/lffft trapping/np_trapping testing/test_TEDF testing/test_TTMS cluster_edfb_clu_SOURCES=../src/cluster/edfb_clu.f cluster_edfb_clu_SOURCES=../src/cluster/edfb_clu.f cluster_clu_SOURCES=../src/cluster/clu.f cluster_clu_SOURCES=../src/cluster/clu.f cluster_np_cluster_SOURCES=../src/cluster/np_cluster.cpp ../src/cluster/cluster.cpp cluster_np_cluster_SOURCES=../src/cluster/np_cluster.cpp ../src/cluster/cluster.cpp Loading @@ -12,6 +12,5 @@ sphere_np_sphere_SOURCES=../src/sphere/np_sphere.cpp ../src/sphere/sphere.cpp trapping_frfme_SOURCES=../src/trapping/frfme.f trapping_frfme_SOURCES=../src/trapping/frfme.f trapping_lffft_SOURCES=../src/trapping/lffft.f trapping_lffft_SOURCES=../src/trapping/lffft.f trapping_np_trapping_SOURCES=../src/trapping/np_trapping.cpp ../src/trapping/cfrfme.cpp ../src/trapping/clffft.cpp trapping_np_trapping_SOURCES=../src/trapping/np_trapping.cpp ../src/trapping/cfrfme.cpp ../src/trapping/clffft.cpp check_PROGRAMS=testing/test_TEDF testing/test_TTMS testing_test_TEDF_SOURCES=../src/testing/test_TEDF.cpp testing_test_TEDF_SOURCES=../src/testing/test_TEDF.cpp testing_test_TTMS_SOURCES=../src/testing/test_TTMS.cpp testing_test_TTMS_SOURCES=../src/testing/test_TTMS.cpp build/configure +71 −2 Original line number Original line Diff line number Diff line Loading @@ -656,6 +656,8 @@ ac_subst_vars='am__EXEEXT_FALSE am__EXEEXT_TRUE am__EXEEXT_TRUE LTLIBOBJS LTLIBOBJS LIBOBJS LIBOBJS USER_LDFLAGS USER_INCLUDE NVTXFLAGS NVTXFLAGS MAGMALDFLAGS MAGMALDFLAGS MAGMAFLAGS MAGMAFLAGS Loading Loading @@ -812,6 +814,9 @@ enable_openmp with_lapack with_lapack with_magma with_magma enable_nvtx enable_nvtx with_include with_fflags with_ldflags ' ' ac_precious_vars='build_alias ac_precious_vars='build_alias host_alias host_alias Loading Loading @@ -1483,6 +1488,9 @@ Optional Packages: compiler's sysroot if not specified). compiler's sysroot if not specified). --with-lapack use LAPACK [default=check] --with-lapack use LAPACK [default=check] --with-magma use MAGMA [default=check] --with-magma use MAGMA [default=check] --with-include additional include folders [default=none] --with-fflags=flags FORTRAN compiler flags [default="-std=legacy -O3"] --with-ldflags=flags custom linker flags [default=none] Some influential environment variables: Some influential environment variables: CC C compiler command CC C compiler command Loading Loading @@ -24388,8 +24396,69 @@ esac fi fi # Test for additional user configurations # Test for specific include folders # Check whether --with-include was given. if test ${with_include+y} then : withval=$with_include; if test "x$with_val" != "x"; then USER_INCLUDE=$with_val fi else case e in #( e) USER_INCLUDE="" ;; esac fi # Test for special FORTRAN compiler flags # Check whether --with-fflags was given. if test ${with_fflags+y} then : withval=$with_fflags; if test "x$with_val" != "x"; then FFLAGS=$with_val fi else case e in #( e) FFLAGS="-std=legacy -O3" FFLAGS="-std=legacy -O3" CXXFLAGS="$CLANGFLAGS -O3 -ggdb -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS" ;; esac fi # Test for special linker flags # Check whether --with-ldflags was given. if test ${with_ldflags+y} then : withval=$with_ldflags; if test "x$with_val" != "x"; then USER_LDFLAGS=$with_val fi else case e in #( e) USER_LDFLAGS="" ;; esac fi CXXFLAGS="$CLANGFLAGS -O3 -ggdb $USER_INCLUDE -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS" SUBDIRS="cluster libnptm sphere testing trapping" SUBDIRS="cluster libnptm sphere testing trapping" # Send output to Makefiles # Send output to Makefiles build/configure.ac +42 −2 Original line number Original line Diff line number Diff line Loading @@ -247,8 +247,48 @@ AC_ARG_ENABLE( ] ] ) ) FFLAGS="-std=legacy -O3" # Test for additional user configurations CXXFLAGS="$CLANGFLAGS -O3 -ggdb -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS" # Test for specific include folders AC_ARG_WITH( [include], [AS_HELP_STRING([--with-include], [additional include folders @<:@default=none@:>@])], [ if test "x$with_val" != "x"; then AC_SUBST([USER_INCLUDE], [$with_val]) fi ], [AC_SUBST([USER_INCLUDE], [""])] ) # Test for special FORTRAN compiler flags AC_ARG_WITH( [fflags], [AS_HELP_STRING([--with-fflags=flags], [FORTRAN compiler flags @<:@default="-std=legacy -O3"@:>@])], [ if test "x$with_val" != "x"; then AC_SUBST([FFLAGS], [$with_val]) fi ], [ AC_SUBST([FFLAGS], ["-std=legacy -O3"]) ] ) # Test for special linker flags AC_ARG_WITH( [ldflags], [AS_HELP_STRING([--with-ldflags=flags], [custom linker flags @<:@default=none@:>@])], [ if test "x$with_val" != "x"; then AC_SUBST([USER_LDFLAGS], [$with_val]) fi ], [ AC_SUBST([USER_LDFLAGS], [""]) ] ) CXXFLAGS="$CLANGFLAGS -O3 -ggdb $USER_INCLUDE -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS" SUBDIRS="cluster libnptm sphere testing trapping" SUBDIRS="cluster libnptm sphere testing trapping" # Send output to Makefiles # Send output to Makefiles Loading Loading
.gitlab-ci.yml +69 −21 Original line number Original line Diff line number Diff line Loading @@ -29,11 +29,9 @@ compatibility_stage: allow_failure: true allow_failure: true artifacts: artifacts: paths: paths: - build/cluster/* - build_* - build/sphere/* - build_*/* - build/testing/* - build_*/*/* - build/trapping/* - build/libnptm/* exclude: exclude: - ".git*" - ".git*" - ".git/**/*" - ".git/**/*" Loading @@ -46,25 +44,71 @@ compatibility_stage: - echo $CI_COMMIT_BRANCH - echo $CI_COMMIT_BRANCH - echo "Getting system info ..." - echo "Getting system info ..." - cat /etc/os-release - cat /etc/os-release - cd src - echo "Running make with gnu compilers version 11..." - echo "Running make with gnu compilers version 11..." - make clean && BUILDDIR=$PWD/../build_gnu11 CXX=g++-11 FC=gfortran-11 make -j - mkdir build_gnu11 - cd build_gnu11 - cp -r ../build/* . - CXX=g++-11 F77=gfortran-11 ./configure - make clean - make -j - echo "Running make with gnu compilers version 12..." - echo "Running make with gnu compilers version 12..." - make clean && BUILDDIR=$PWD/../build_gnu12 CXX=g++-12 FC=gfortran-12 make -j - cd .. - mkdir build_gnu12 - cd build_gnu12 - cp -r ../build/* . - CXX=g++-12 F77=gfortran-12 ./configure - make clean - make -j - echo "Running make with gnu compilers version 13..." - echo "Running make with gnu compilers version 13..." - make clean && BUILDDIR=$PWD/../build_gnu13 CXX=g++-13 FC=gfortran-13 make -j - cd .. - mkdir build_gnu13 - cd build_gnu13 - cp -r ../build/* . - CXX=g++-13 F77=gfortran-13 ./configure - make clean - make -j - echo "Running make with gnu compilers version 14..." - echo "Running make with gnu compilers version 14..." - make clean && BUILDDIR=$PWD/../build_gnu14 CXX=g++-14 FC=gfortran-14 make -j - cd .. - mkdir build_gnu14 - cd build_gnu14 - cp -r ../build/* . - CXX=g++-14 F77=gfortran-14 ./configure - make clean - make -j - echo "Running make with flang version 16 and clang version 16..." - echo "Running make with flang version 16 and clang version 16..." - make clean && BUILDDIR=$PWD/../build_clang16 CXX="clang++-16 -stdlib=libstdc++ -I/usr/include/c++/13 -I/usr/include/x86_64-linux-gnu/c++/13" FC=flang-new-16 FCFLAGS=-O3 LDFLAGS="-L/usr/lib/llvm-16/lib -L/usr/lib/gcc/x86_64-linux-gnu/13" make -j - cd .. - mkdir build_clang16 - cd build_clang16 - cp -r ../build/* . - CXX=clang++-16 F77=flang-new-16 ./configure --with-fflags="-O3" --with-include="-I/usr/include/c++/13 -I/usr/include/x86_64-linux-gnu/c++/13" --with-ldflags="-L/usr/lib/llvm-16/lib -L/usr/lib/gcc/x86_64-linux-gnu/13" - make clean - make -j - echo "Running make with flang version 17 and clang version 17..." - echo "Running make with flang version 17 and clang version 17..." - make clean && BUILDDIR=$PWD/../build_clang17 CXX="clang++-17 -stdlib=libstdc++ -I/usr/include/c++/13 -I/usr/include/x86_64-linux-gnu/c++/13" FC=flang-new-17 FCFLAGS=-O3 LDFLAGS="-L/usr/lib/llvm-17/lib -L/usr/lib/gcc/x86_64-linux-gnu/13" make -j - cd .. - mkdir build_clang17 - cd build_clang17 - cp -r ../build/* . - CXX=clang++-17 F77=flang-new-17 ./configure --with-fflags="-O3" --with-include="-I/usr/include/c++/13 -I/usr/include/x86_64-linux-gnu/c++/13" --with-ldflags="-L/usr/lib/llvm-17/lib -L/usr/lib/gcc/x86_64-linux-gnu/13" - make clean - make -j - echo "Running make with Intel ifort and Intel icpx..." - echo "Running make with Intel ifort and Intel icpx..." - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.2/lib PATH=/opt/intel/oneapi/compiler/2024.2/bin:$PATH BUILDDIR=$PWD/../build_ifort-icpx CXX=icpx FC=ifort FCFLAGS="-O3 -diag-disable=10448" make -j - cd .. - mkdir build_ifort_icpx - cd build_ifort_icpx - cp -r ../build/* . - LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.2/lib PATH=/opt/intel/oneapi/compiler/2024.2/bin:$PATH CXX=icpx F77=ifort ./configure --with-fflags="-O3 -diag-disable=10448" - make clean - make -j - echo "Running make with Intel ifx and Intel icpx..." - echo "Running make with Intel ifx and Intel icpx..." - make clean && LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.2/lib PATH=/opt/intel/oneapi/compiler/2024.2/bin:$PATH BUILDDIR=$PWD/../build_ifx-icpx CXX=icpx FC=ifx FCFLAGS=-O3 make -j - cd .. - echo "Running make with default MPI compilers" - mkdir build_ifx_icpx - make clean && BUILDDIR=$PWD/../build_mpi CXX=mpicxx FC=mpif90 USE_MPI=1 make -j - cd build_ifx_icpx - cp -r ../build/* . - LD_LIBRARY_PATH=/opt/intel/oneapi/compiler/2024.2/lib PATH=/opt/intel/oneapi/compiler/2024.2/bin:$PATH CXX=icpx F77=ifx ./configure --with-fflags="-O3" - make clean - make -j #- echo "Running make with default MPI compilers" #- make clean && BUILDDIR=$PWD/../build_mpi CXX=mpicxx FC=mpif90 USE_MPI=1 make -j building_stage: building_stage: stage: build stage: build Loading @@ -90,9 +134,13 @@ building_stage: - echo $CI_COMMIT_BRANCH - echo $CI_COMMIT_BRANCH - echo "Getting system info ..." - echo "Getting system info ..." - cat /etc/os-release - cat /etc/os-release - cd src - cd build - echo "Running make with default compilers..." - echo "Configuring with default compilers (MAGMA disabled)..." - make clean && USE_LAPACK=1 USE_ILP64=1 make -j - ./configure --without-magma - make clean - echo "Building default configuration..." - make -j - echo "Building documentation..." - make docs -j && make -C ../doc/build/latex -j - make docs -j && make -C ../doc/build/latex -j running_stage: running_stage: Loading Loading @@ -125,7 +173,7 @@ running_stage: - cd ../cluster - cd ../cluster - echo "Running np_cluster" - echo "Running np_cluster" - chmod +x np_cluster - chmod +x np_cluster - ./np_cluster - OMP_NUM_THREADS=1 ./np_cluster testing_stage: testing_stage: stage: test stage: test Loading Loading @@ -162,7 +210,7 @@ testing_stage: - export FFILE=../../test_data/cluster/OCLU - export FFILE=../../test_data/cluster/OCLU - python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html - python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html - echo "Testing cluster with 24 spheres" - echo "Testing cluster with 24 spheres" - ./np_cluster ../../test_data/cluster/DEDFB_24 ../../test_data/cluster/DCLU_24 . - OMP_NUM_THREADS=1 mpirun -n 2 ./np_cluster ../../test_data/cluster/DEDFB_24 ../../test_data/cluster/DCLU_24 . - echo "Comparing output of CLUSTER with 24 spheres" - echo "Comparing output of CLUSTER with 24 spheres" - export FFILE=../../test_data/cluster/OCLU_24 - export FFILE=../../test_data/cluster/OCLU_24 - python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html - python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html Loading
build/Makefile.am +2 −3 Original line number Original line Diff line number Diff line AUTOMAKE_OPTIONS=subdir-objects AUTOMAKE_OPTIONS=subdir-objects LDADD=libnptm/libnptm.la -L/usr/lib64 ${HDF5_LDFLAGS} ${LAPACKLDFLAGS} ${MAGMALDFLAGS} LDADD=libnptm/libnptm.la -L/usr/lib64 ${USER_LDFLAGS} ${HDF5_LDFLAGS} ${LAPACKLDFLAGS} ${MAGMALDFLAGS} lib_LTLIBRARIES=libnptm/libnptm.la lib_LTLIBRARIES=libnptm/libnptm.la libnptm_libnptm_la_SOURCES=../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp ../src/libnptm/types.cpp libnptm_libnptm_la_SOURCES=../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp ../src/libnptm/types.cpp bin_PROGRAMS=cluster/edfb_clu cluster/clu cluster/np_cluster sphere/edfb_sph sphere/sph sphere/np_sphere trapping/frfme trapping/lffft trapping/np_trapping bin_PROGRAMS=cluster/edfb_clu cluster/clu cluster/np_cluster sphere/edfb_sph sphere/sph sphere/np_sphere trapping/frfme trapping/lffft trapping/np_trapping testing/test_TEDF testing/test_TTMS cluster_edfb_clu_SOURCES=../src/cluster/edfb_clu.f cluster_edfb_clu_SOURCES=../src/cluster/edfb_clu.f cluster_clu_SOURCES=../src/cluster/clu.f cluster_clu_SOURCES=../src/cluster/clu.f cluster_np_cluster_SOURCES=../src/cluster/np_cluster.cpp ../src/cluster/cluster.cpp cluster_np_cluster_SOURCES=../src/cluster/np_cluster.cpp ../src/cluster/cluster.cpp Loading @@ -12,6 +12,5 @@ sphere_np_sphere_SOURCES=../src/sphere/np_sphere.cpp ../src/sphere/sphere.cpp trapping_frfme_SOURCES=../src/trapping/frfme.f trapping_frfme_SOURCES=../src/trapping/frfme.f trapping_lffft_SOURCES=../src/trapping/lffft.f trapping_lffft_SOURCES=../src/trapping/lffft.f trapping_np_trapping_SOURCES=../src/trapping/np_trapping.cpp ../src/trapping/cfrfme.cpp ../src/trapping/clffft.cpp trapping_np_trapping_SOURCES=../src/trapping/np_trapping.cpp ../src/trapping/cfrfme.cpp ../src/trapping/clffft.cpp check_PROGRAMS=testing/test_TEDF testing/test_TTMS testing_test_TEDF_SOURCES=../src/testing/test_TEDF.cpp testing_test_TEDF_SOURCES=../src/testing/test_TEDF.cpp testing_test_TTMS_SOURCES=../src/testing/test_TTMS.cpp testing_test_TTMS_SOURCES=../src/testing/test_TTMS.cpp
build/configure +71 −2 Original line number Original line Diff line number Diff line Loading @@ -656,6 +656,8 @@ ac_subst_vars='am__EXEEXT_FALSE am__EXEEXT_TRUE am__EXEEXT_TRUE LTLIBOBJS LTLIBOBJS LIBOBJS LIBOBJS USER_LDFLAGS USER_INCLUDE NVTXFLAGS NVTXFLAGS MAGMALDFLAGS MAGMALDFLAGS MAGMAFLAGS MAGMAFLAGS Loading Loading @@ -812,6 +814,9 @@ enable_openmp with_lapack with_lapack with_magma with_magma enable_nvtx enable_nvtx with_include with_fflags with_ldflags ' ' ac_precious_vars='build_alias ac_precious_vars='build_alias host_alias host_alias Loading Loading @@ -1483,6 +1488,9 @@ Optional Packages: compiler's sysroot if not specified). compiler's sysroot if not specified). --with-lapack use LAPACK [default=check] --with-lapack use LAPACK [default=check] --with-magma use MAGMA [default=check] --with-magma use MAGMA [default=check] --with-include additional include folders [default=none] --with-fflags=flags FORTRAN compiler flags [default="-std=legacy -O3"] --with-ldflags=flags custom linker flags [default=none] Some influential environment variables: Some influential environment variables: CC C compiler command CC C compiler command Loading Loading @@ -24388,8 +24396,69 @@ esac fi fi # Test for additional user configurations # Test for specific include folders # Check whether --with-include was given. if test ${with_include+y} then : withval=$with_include; if test "x$with_val" != "x"; then USER_INCLUDE=$with_val fi else case e in #( e) USER_INCLUDE="" ;; esac fi # Test for special FORTRAN compiler flags # Check whether --with-fflags was given. if test ${with_fflags+y} then : withval=$with_fflags; if test "x$with_val" != "x"; then FFLAGS=$with_val fi else case e in #( e) FFLAGS="-std=legacy -O3" FFLAGS="-std=legacy -O3" CXXFLAGS="$CLANGFLAGS -O3 -ggdb -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS" ;; esac fi # Test for special linker flags # Check whether --with-ldflags was given. if test ${with_ldflags+y} then : withval=$with_ldflags; if test "x$with_val" != "x"; then USER_LDFLAGS=$with_val fi else case e in #( e) USER_LDFLAGS="" ;; esac fi CXXFLAGS="$CLANGFLAGS -O3 -ggdb $USER_INCLUDE -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS" SUBDIRS="cluster libnptm sphere testing trapping" SUBDIRS="cluster libnptm sphere testing trapping" # Send output to Makefiles # Send output to Makefiles
build/configure.ac +42 −2 Original line number Original line Diff line number Diff line Loading @@ -247,8 +247,48 @@ AC_ARG_ENABLE( ] ] ) ) FFLAGS="-std=legacy -O3" # Test for additional user configurations CXXFLAGS="$CLANGFLAGS -O3 -ggdb -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS" # Test for specific include folders AC_ARG_WITH( [include], [AS_HELP_STRING([--with-include], [additional include folders @<:@default=none@:>@])], [ if test "x$with_val" != "x"; then AC_SUBST([USER_INCLUDE], [$with_val]) fi ], [AC_SUBST([USER_INCLUDE], [""])] ) # Test for special FORTRAN compiler flags AC_ARG_WITH( [fflags], [AS_HELP_STRING([--with-fflags=flags], [FORTRAN compiler flags @<:@default="-std=legacy -O3"@:>@])], [ if test "x$with_val" != "x"; then AC_SUBST([FFLAGS], [$with_val]) fi ], [ AC_SUBST([FFLAGS], ["-std=legacy -O3"]) ] ) # Test for special linker flags AC_ARG_WITH( [ldflags], [AS_HELP_STRING([--with-ldflags=flags], [custom linker flags @<:@default=none@:>@])], [ if test "x$with_val" != "x"; then AC_SUBST([USER_LDFLAGS], [$with_val]) fi ], [ AC_SUBST([USER_LDFLAGS], [""]) ] ) CXXFLAGS="$CLANGFLAGS -O3 -ggdb $USER_INCLUDE -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS" SUBDIRS="cluster libnptm sphere testing trapping" SUBDIRS="cluster libnptm sphere testing trapping" # Send output to Makefiles # Send output to Makefiles Loading