diff --git a/build/configure.sh b/build/configure.sh index 4e2b9a4094ddf45c3888bffc8c1864fb97b0f37b..4bb5932c8d9522407f3c7619c48ccbe43b7d4f9f 100755 --- a/build/configure.sh +++ b/build/configure.sh @@ -73,11 +73,11 @@ function print_help { echo "Use this script to detect the proper build configuration for your system. " echo "Valid options are: " echo " " - echo "--disble-fortran Disable FORTRAN compilation. " - echo "--disble-gdb Disable GNU debugger. " - echo "--disble-ilp64 Disable 64-bit integers. " - echo "--disble-offload Disable GPU offloading. " - echo "--disble-openmp Disable OpenMP multi-threading. " + echo "--disable-fortran Disable FORTRAN compilation. " + echo "--disable-gdb Disable GNU debugger. " + echo "--disable-ilp64 Disable 64-bit integers. " + echo "--disable-offload Disable GPU offloading. " + echo "--disable-openmp Disable OpenMP multi-threading. " echo "--enable-debug=FEATURE Enable debug output of specified feature. " echo "--enable-fortran Enable FORTRAN compilation (DEFAULT). " echo "--enable-nvtx Enable NVTX profiling tools. " diff --git a/containers/docker/Dockerfile b/containers/docker/Dockerfile index 8ef30fdfc92a11923dc8906c62d356807523d61e..3abcd3d1eba8df6083911cc61821cecf99eddb80 100644 --- a/containers/docker/Dockerfile +++ b/containers/docker/Dockerfile @@ -12,7 +12,7 @@ WORKDIR /root RUN apt update RUN DEBIAN_FRONTEND=noninteractive apt -y upgrade # install packages needed to build binaries -RUN DEBIAN_FRONTEND=noninteractive apt -y install g++ gfortran gcc-offload-nvptx g++-11 gfortran-11 gcc-11-offload-nvptx g++-12 gfortran-12 gcc-12-offload-nvptx g++-13 gfortran-13 gcc-13-offload-nvptx g++-14 gfortran-14 gcc-14-offload-nvptx clang libc++-dev libc++abi-dev clang-16 clang-17 flang-16 flang-17 libhdf5-dev make +RUN DEBIAN_FRONTEND=noninteractive apt -y install g++ gfortran gcc-offload-nvptx g++-12 gfortran-12 gcc-12-offload-nvptx g++-13 gfortran-13 gcc-13-offload-nvptx g++-14 gfortran-14 gcc-14-offload-nvptx clang libc++-dev libc++abi-dev clang-17 clang-18 clang-19 flang-17 flang-18 flang-19 libhdf5-dev make # install packages needed to test with Intel OneAPI compilers COPY --chown=root:root containers/docker/dockerstuff/intelcomps/oneapi-archive-keyring.gpg /usr/share/keyrings/ COPY --chown=root:root containers/docker/dockerstuff/intelcomps/oneAPI.list /etc/apt/sources.list.d/ @@ -33,7 +33,7 @@ COPY --chown=root:root containers/docker/dockerstuff/magma-compiled/usr/lib/lib* COPY --chown=root:root containers/docker/dockerstuff/magma-compiled/usr/include/* /usr/include/ COPY --chown=root:root containers/docker/dockerstuff/magma-compiled/usr/lib/pkgconfig/* /usr/lib/x86_64-linux-gnu/pkgconfig/ # install packages needed to run python scripts for checks -RUN DEBIAN_FRONTEND=noninteractive apt -y install python3 python-is-python3 python3-regex +RUN DEBIAN_FRONTEND=noninteractive apt -y install python3 python-is-python3 python3-regex python3-yaml python3-matplotlib python3-numpy # install packages needed to run doxygen to create html docs RUN DEBIAN_FRONTEND=noninteractive apt -y install doxygen # install packages needed to run pdflatex to create pdf docs @@ -57,17 +57,19 @@ ADD doc /root/np-tmcode/doc ADD build /root/np-tmcode/build ADD test_data /root/np-tmcode/test_data #RUN cd np-tmcode/src && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_LAPACK=1 USE_MAGMA=1 USE_OPENMP=1 USE_MPI=1 CXX=mpicxx FC=gfortran make wipe && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_LAPACK=1 USE_MAGMA=1 USE_OPENMP=1 USE_MPI=1 CXX=mpicxx FC=gfortran make -j && mv ../build/cluster/np_cluster ../build/cluster/np_cluster_magma_mpi -RUN cd np-tmcode/build && CXX=mpicxx FC=gfortran ./configure --enable-static --enable-mpi --enable-ilp64 --enable-openmp --with-lapack --with-magma && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_magma_mpi +RUN cd np-tmcode/build && CXX=mpicxx FC=gfortran ./configure --enable-openmp --with-lapack --with-magma --without-cublas && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_magma_mpi && mv sphere/np_sphere sphere/np_sphere_magma_mpi && mv inclusion/np_inclusion inclusion/np_inclusion_magma_mpi && mv trapping/np_trapping trapping/np_trapping_magma_mpi #RUN cd np-tmcode/src && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_LAPACK=1 USE_MAGMA=1 USE_OPENMP=1 CXX=g++ FC=gfortran make wipe && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_LAPACK=1 USE_MAGMA=1 USE_OPENMP=1 CXX=g++ FC=gfortran make -j && mv ../build/cluster/np_cluster ../build/cluster/np_cluster_magma_serial -RUN cd np-tmcode/build && CXX=g++ FC=gfortran ./configure --enable-static --disable-mpi --enable-ilp64 --enable-openmp --with-lapack --with-magma && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_magma_serial +RUN cd np-tmcode/build && CXX=g++ FC=gfortran ./configure --enable-openmp --with-lapack --with-magma --without-cublas && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_magma_serial && mv sphere/np_sphere sphere/np_sphere_magma_serial && mv inclusion/np_inclusion inclusion/np_inclusion_magma_serial && mv trapping/np_trapping trapping/np_trapping_magma_serial +RUN cd np-tmcode/build && CXX=mpicxx FC=gfortran ./configure --enable-openmp --with-lapack --without-magma --with-cublas && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_cublas_mpi && mv sphere/np_sphere sphere/np_sphere_cublas_mpi && mv inclusion/np_inclusion inclusion/np_inclusion_cublas_mpi && mv trapping/np_trapping trapping/np_trapping_cublas_mpi +RUN cd np-tmcode/build && CXX=g++ FC=gfortran ./configure --enable-openmp --with-lapack --without-magma --with-cublas && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_cublas_serial && mv sphere/np_sphere sphere/np_sphere_cublas_serial && mv inclusion/np_inclusion inclusion/np_inclusion_cublas_serial && mv trapping/np_trapping trapping/np_trapping_cublas_serial #RUN cd np-tmcode/src && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_LAPACK=1 USE_OPENMP=1 USE_MPI=1 CXX=mpicxx FC=gfortran make wipe && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_LAPACK=1 USE_OPENMP=1 USE_MPI=1 CXX=mpicxx FC=gfortran make -j && mv ../build/cluster/np_cluster ../build/cluster/np_cluster_lapack_mpi && cd ../build/cluster && ln -s np_cluster_lapack_mpi np_cluster -RUN cd np-tmcode/build && CXX=mpicxx FC=gfortran ./configure --enable-static --enable-mpi --enable-ilp64 --enable-openmp --with-lapack --without-magma && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_lapack_mpi && cd cluster && ln -s np_cluster_lapack_mpi np_cluster +RUN cd np-tmcode/build && CXX=mpicxx FC=gfortran ./configure --enable-openmp --with-lapack --without-magma --without-cublas && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_lapack_mpi && mv sphere/np_sphere sphere/np_sphere_lapack_mpi && mv inclusion/np_inclusion inclusion/np_inclusion_lapack_mpi && mv trapping/np_trapping trapping/np_trapping_lapack_mpi && cd cluster && ln -s np_cluster_lapack_mpi np_cluster && cd ../sphere && ln -s np_sphere_lapack_mpi np_sphere && cd ../inclusion && ln -s np_inclusion_lapack_mpi np_inclusion && cd ../trapping && ln -s np_trapping_lapack_mpi np_trapping #RUN cd np-tmcode/src && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_LAPACK=1 USE_OPENMP=1 CXX=g++ FC=gfortran make wipe && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_LAPACK=1 USE_OPENMP=1 CXX=g++ FC=gfortran make -j && mv ../build/cluster/np_cluster ../build/cluster/np_cluster_lapack_serial -RUN cd np-tmcode/build && CXX=g++ FC=gfortran ./configure --enable-static --disable-mpi --enable-ilp64 --enable-openmp --with-lapack --without-magma && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_lapack_serial +RUN cd np-tmcode/build && CXX=g++ FC=gfortran ./configure --enable-openmp --with-lapack --without-magma --without-cublas && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_lapack_serial && mv sphere/np_sphere sphere/np_sphere_lapack_serial && mv inclusion/np_inclusion inclusion/np_inclusion_lapack_serial && mv trapping/np_trapping trapping/np_trapping_lapack_serial #RUN cd np-tmcode/src && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_OPENMP=1 USE_MPI=1 CXX=mpicxx FC=gfortran make wipe && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_OPENMP=1 USE_MPI=1 CXX=mpicxx FC=gfortran make -j && mv ../build/cluster/np_cluster ../build/cluster/np_cluster_legacy_mpi -RUN cd np-tmcode/build && CXX=mpicxx FC=gfortran ./configure --enable-static --disable-mpi --enable-ilp64 --enable-openmp --without-lapack --without-magma && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_legacy_mpi +RUN cd np-tmcode/build && CXX=mpicxx FC=gfortran ./configure --enable-openmp --without-lapack --without-magma --without-cublas && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_legacy_mpi && mv sphere/np_sphere sphere/np_sphere_legacy_mpi && mv inclusion/np_inclusion inclusion/np_inclusion_legacy_mpi && mv trapping/np_trapping trapping/np_trapping_legacy_mpi #RUN cd np-tmcode/src && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_OPENMP=1 CXX=g++ FC=gfortran make wipe && BUILDDIR=../../build BUILDDIR_NPTM=../../build/libnptm LIBNPTM=../../build/libnptm/libnptm.a USE_ILP64=1 USE_OPENMP=1 CXX=g++ FC=gfortran make -j && mv ../build/cluster/np_cluster ../build/cluster/np_cluster_legacy_serial -RUN cd np-tmcode/build && CXX=g++ FC=gfortran ./configure --enable-static --disable-mpi --enable-ilp64 --disable-openmp --without-lapack --without-magma && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_legacy_serial +RUN cd np-tmcode/build && CXX=g++ FC=gfortran ./configure --disable-openmp --without-lapack --without-magma --without-cublas && make clean && make -j && mv cluster/np_cluster cluster/np_cluster_legacy_serial && mv sphere/np_sphere sphere/np_sphere_legacy_serial && mv inclusion/np_inclusion inclusion/np_inclusion_legacy_serial && mv trapping/np_trapping trapping/np_trapping_legacy_serial RUN cd np-tmcode/doc/src && doxygen config.dox && cd ../build/latex && make -j @@ -80,7 +82,7 @@ WORKDIR /root COPY --chown=root:root containers/docker/dockerstuff/debian-nonfree/debian.sources /etc/apt/sources.list.d/ RUN DEBIAN_FRONTEND=noninteractive apt update RUN DEBIAN_FRONTEND=noninteractive apt -y upgrade -RUN DEBIAN_FRONTEND=noninteractive apt -y install libgfortran5 libgcc-s1 libhdf5-103-1t64 libstdc++6 libssl3t64 libcurl4t64 libsz2 zlib1g libnghttp2-14 libidn2-0 librtmp1 libssh2-1t64 libpsl5t64 libgssapi-krb5-2 libldap-2.5-0 libzstd1 libbrotli1 libaec0 libunistring5 libgmp10 libkrb5-3 libk5crypto3 libcom-err2 libkrb5support0 libsasl2-2 libp11-kit0 libtasn1-6 libkeyutils1 libffi8 liblapacke64 libopenblas64-0-openmp python3 python-is-python3 python3-regex hdf5-tools libquadmath0 libgcc-s1 libgomp1 libnvjitlink12 libcublaslt12 libcudart12 libcusparse12 libcublas12 mpi-default-bin +RUN DEBIAN_FRONTEND=noninteractive apt -y install libgfortran5 libgcc-s1 libhdf5-310 libstdc++6 libssl3t64 libcurl4t64 libsz2 zlib1g libnghttp2-14 libidn2-0 librtmp1 libssh2-1t64 libpsl5t64 libgssapi-krb5-2 libldap2 libzstd1 libbrotli1 libaec0 libunistring5 libgmp10 libkrb5-3 libk5crypto3 libcom-err2 libkrb5support0 libsasl2-2 libp11-kit0 libtasn1-6 libkeyutils1 libffi8 liblapacke64 libopenblas64-0-openmp python3 python-is-python3 python3-regex python3-yaml python3-matplotlib python3-numpy hdf5-tools libquadmath0 libgcc-s1 libgomp1 libnvjitlink12 libcublaslt12 libcudart12 libcusparse12 libcublas12 mpi-default-bin RUN rm -rf /var/lib/apt/lists/* COPY --from=np-tmcode-run-dev /root /root COPY --from=np-tmcode-run-dev /usr/lib/x86_64-linux-gnu/libmagma.so /usr/lib/x86_64-linux-gnu/libmagma.so