diff --git a/arch/CRAY-XC40-gnu.psmp b/arch/CRAY-XC40-gnu.psmp index cec32634ed..f93f3e31ac 100644 --- a/arch/CRAY-XC40-gnu.psmp +++ b/arch/CRAY-XC40-gnu.psmp @@ -4,7 +4,7 @@ # # Tested with: GNU 11.2.0, Cray-MPICH 7.7.18, # Cray-libsci 20.09.1, Cray-FFTW 3.3.8.10, -# COSMA 2.6.6, ELPA 2023.05.001, HDF5 1.12.0, +# COSMA 2.6.6, ELPA 2023.05.001, HDF5 1.14.2, # LIBINT 2.6.0, LIBPEXSI 1.2.0, LIBXC 6.2.2, # LIBVORI 220621, LIBXSMM 1.17, PLUMED 2.9.0, # SIRIUS 7.4.3, SPGLIB 1.16.2 @@ -13,7 +13,7 @@ # A full toolchain installation is performed as default. # Replace or adapt the "module add" commands below if needed. # -# Last update: 13.09.2023 +# Last update: 04.10.2023 # # \ if [ "${0}" = "${BASH_SOURCE}" ]; then \ @@ -68,7 +68,7 @@ DO_CHECKS := no USE_COSMA := 2.6.6 USE_ELPA := 2023.05.001 -USE_HDF5 := 1.12.0 +USE_HDF5 := 1.14.2 USE_LIBINT := 2.6.0 USE_LIBPEXSI := 1.2.0 USE_LIBVORI := 220621 diff --git a/arch/CRAY-XC50-gnu.psmp b/arch/CRAY-XC50-gnu.psmp index 6bfcc36ed2..bf1337af6e 100644 --- a/arch/CRAY-XC50-gnu.psmp +++ b/arch/CRAY-XC50-gnu.psmp @@ -4,7 +4,7 @@ # # Tested with: GNU 9.3.0, Cray-MPICH 7.7.18, Cray-libsci 20.09.1, # Cray-FFTW 3.3.8.10, COSMA 2.6.6, ELPA 2023.05.001, -# HDF5 1.12.0, LIBINT 2.6.0, LIBPEXSI 1.2.0, +# HDF5 1.14.2, LIBINT 2.6.0, LIBPEXSI 1.2.0, # LIBXC 6.2.2, LIBVORI 220621, LIBXSMM 1.17, # PLUMED 2.9.0, SIRIUS 7.4.3, SPGLIB 1.16.2 # @@ -12,7 +12,7 @@ # A full toolchain installation is performed as default. # Replace or adapt the "module add" commands below if needed. # -# Last update: 13.09.2023 +# Last update: 04.10.2023 # # \ if [ "${0}" = "${BASH_SOURCE}" ]; then \ @@ -70,7 +70,7 @@ DO_CHECKS := no USE_ACC := yes USE_COSMA := 2.6.6 USE_ELPA := 2023.05.001 -USE_HDF5 := 1.12.0 +USE_HDF5 := 1.14.2 USE_LIBINT := 2.6.0 USE_LIBPEXSI := 1.2.0 USE_LIBVORI := 220621 diff --git a/arch/Darwin-gnu-arm64.psmp b/arch/Darwin-gnu-arm64.psmp index 4b83716b0a..525eaa1a50 100644 --- a/arch/Darwin-gnu-arm64.psmp +++ b/arch/Darwin-gnu-arm64.psmp @@ -5,7 +5,7 @@ # # Tested with: GNU 12.3.0, MPICH 4.0.3, # ScaLAPACK 2.2.1, OpenBLAS 0.3.24, -# FFTW 3.3.10, HDF5 1.12.0, +# FFTW 3.3.10, HDF5 1.14.2, # LIBINT 2.6.0, LIBXC 6.2.2, # SPGLIB 1.16.2, PLUMED 2.9.0, # LIBVORI 220621, GSL 2.7, @@ -14,7 +14,7 @@ # # Usage: Source this arch file and then run make as instructed. # -# Last update: 22.09.2023 +# Last update: 04.10.2023 # # \ if [[ "${0}" == "${BASH_SOURCE}" ]]; then \ @@ -62,7 +62,7 @@ SHARED := no TARGET_CPU := native USE_COSMA := 2.6.6 USE_FFTW := 3.3.10 -USE_HDF5 := 1.12.0 +USE_HDF5 := 1.14.2 USE_LIBINT := 2.6.0 USE_LIBVORI := 220621 USE_LIBXC := 6.2.2 diff --git a/arch/JURECA-cpu.psmp b/arch/JURECA-cpu.psmp index a42d7c116c..fbbd4575b9 100644 --- a/arch/JURECA-cpu.psmp +++ b/arch/JURECA-cpu.psmp @@ -5,7 +5,7 @@ # Tested with: GNU 11.3.0, ParaStationMPI, # ScaLAPACK 2.2.1, OpenBLAS 0.3.24, # FFTW 3.3.10, COSMA 2.6.6, -# ELPA 2023.05.001, HDF5 1.12.0, +# ELPA 2023.05.001, HDF5 1.14.2, # LIBINT 2.6.0, LIBPEXSI 1.2.0, # LIBXC 6.2.2, LIBVORI 220621, # LIBXSMM 1.17, PLUMED 2.9.0, @@ -15,7 +15,7 @@ # A full toolchain installation is performed as default. # Replace or adapt the "module add" commands below if needed. # -# Last update: 22.09.2023 +# Last update: 04.10.2023 # # \ if [ "${0}" = "${BASH_SOURCE}" ]; then \ @@ -57,7 +57,7 @@ USE_ACC := no USE_COSMA := 2.6.6 USE_ELPA := 2023.05.001 USE_FFTW := 3.3.10 -USE_HDF5 := 1.12.0 +USE_HDF5 := 1.14.2 USE_LIBINT := 2.6.0 USE_LIBPEXSI := 1.2.0 USE_LIBTORCH := 1.12.1 diff --git a/arch/JURECA-gpu.psmp b/arch/JURECA-gpu.psmp index f33aa02dec..b713b6505e 100644 --- a/arch/JURECA-gpu.psmp +++ b/arch/JURECA-gpu.psmp @@ -5,7 +5,7 @@ # Tested with: GNU 11.3.0, ParaStationMPI, # ScaLAPACK 2.2.1, OpenBLAS 0.3.24, # FFTW 3.3.10, COSMA 2.6.6, -# ELPA 2023.05.001, HDF5 1.12.0, +# ELPA 2023.05.001, HDF5 1.14.2, # LIBINT 2.6.0, LIBPEXSI 1.2.0, # LIBXC 6.2.2, LIBVORI 220621, # LIBXSMM 1.17, PLUMED 2.9.0, @@ -15,7 +15,7 @@ # A full toolchain installation is performed as default. # Replace or adapt the "module add" commands below if needed. # -# Last update: 22.09.2023 +# Last update: 04.10.2023 # # \ if [ "${0}" = "${BASH_SOURCE}" ]; then \ @@ -58,7 +58,7 @@ USE_ACC := yes USE_COSMA := 2.6.6 USE_ELPA := 2023.05.001 USE_FFTW := 3.3.10 -USE_HDF5 := 1.12.0 +USE_HDF5 := 1.14.2 USE_LIBINT := 2.6.0 USE_LIBPEXSI := 1.2.0 USE_LIBTORCH := 1.12.1 diff --git a/arch/Linux-gnu-aarch64.psmp b/arch/Linux-gnu-aarch64.psmp index 8907ac328e..63ddb9c486 100644 --- a/arch/Linux-gnu-aarch64.psmp +++ b/arch/Linux-gnu-aarch64.psmp @@ -4,7 +4,7 @@ # # Tested with: GNU 12.3.0, MPICH 4.0.3, # ScaLAPACK 2.2.1, OpenBLAS 0.3.24, -# FFTW 3.3.10, HDF5 1.12.0, +# FFTW 3.3.10, HDF5 1.14.2, # LIBINT 2.6.0, LIBXC 6.2.2, # ELPA 2023.05.001, PLUMED 2.9.0, # SPGLIB 1.16.2, LIBVORI 220621, @@ -13,7 +13,7 @@ # Usage: Source this arch file and then run make as instructed. # A full toolchain installation is performed as default. # -# Last update: 22.09.2023 +# Last update: 04.10.2023 # # \ if [[ "${0}" == "${BASH_SOURCE}" ]]; then \ @@ -53,7 +53,7 @@ TARGET_CPU := native USE_COSMA := 2.6.6 USE_ELPA := 2023.05.001 USE_FFTW := 3.3.10 -USE_HDF5 := 1.12.0 +USE_HDF5 := 1.14.2 USE_LIBINT := 2.6.0 USE_LIBPEXSI := 1.2.0 USE_LIBVORI := 220621 diff --git a/arch/Linux-gnu-x86_64.psmp b/arch/Linux-gnu-x86_64.psmp index d2c3458642..6cbc8ea649 100644 --- a/arch/Linux-gnu-x86_64.psmp +++ b/arch/Linux-gnu-x86_64.psmp @@ -4,7 +4,7 @@ # # Tested with: GNU 13.1.0, MPICH 4.0.3 and OpenMPI 4.1.5, # ScaLAPACK 2.2.1, OpenBLAS 0.3.24, -# FFTW 3.3.10, ELPA 2023.05.001, HDF5 1.12.0, +# FFTW 3.3.10, ELPA 2023.05.001, HDF5 1.14.2, # LIBINT 2.6.0, LIBXC 6.2.2, PLUMED 2.9.0, # SPGLIB 1.16.2, LIBVORI 220621, GSL 2.7, # COSMA 2.6.6, SIRIUS 7.4.3, LIBTORCH 1.12.1 @@ -15,7 +15,7 @@ # Optionally, GNU compiler and MPI implementation can be specified as arguments. # Replace or adapt the "module add" commands below if needed. # -# Last update: 22.09.2023 +# Last update: 04.10.2023 # # \ if [[ "${0}" == "${BASH_SOURCE}" ]]; then \ @@ -67,7 +67,7 @@ TARGET_CPU := native USE_COSMA := 2.6.6 USE_ELPA := 2023.05.001 USE_FFTW := 3.3.10 -USE_HDF5 := 1.12.0 +USE_HDF5 := 1.14.2 USE_LIBINT := 2.6.0 USE_LIBPEXSI := 1.2.0 USE_LIBTORCH := 1.12.1 diff --git a/arch/Linux-intel-x86_64.psmp b/arch/Linux-intel-x86_64.psmp index 012e2e2b3a..a257ee9aad 100644 --- a/arch/Linux-intel-x86_64.psmp +++ b/arch/Linux-intel-x86_64.psmp @@ -5,14 +5,14 @@ # Tested with: Intel 22.2 , Intel MPI, Intel MKL, # LIBINT 2.6.0, LIBXC 6.2.2, ELPA 2023.05.001, # PLUMED 2.9.0, SPGLIB 1.16.2, LIBVORI 220621, -# GSL 2.7, COSMA 2.6.6, HDF5 1.12.0 +# GSL 2.7, COSMA 2.6.6, HDF5 1.14.2 # # Usage: Source this arch file and then run make as instructed. # A full toolchain installation is performed as default. # Optionally, the Intel compiler version can be specified as argument. # Replace or adapt the "module add" commands below if needed. # -# Last update: 13.09.2023 +# Last update: 04.10.2023 # # \ if [[ "${0}" == "${BASH_SOURCE}" ]]; then \ @@ -54,7 +54,7 @@ SHARED := no TARGET_CPU := native USE_COSMA := 2.6.6 USE_ELPA := 2023.05.001 -USE_HDF5 := 1.12.0 +USE_HDF5 := 1.14.2 USE_LIBINT := 2.6.0 USE_LIBPEXSI := 1.2.0 #USE_LIBTORCH := 1.12.1 diff --git a/tools/toolchain/scripts/stage7/install_hdf5.sh b/tools/toolchain/scripts/stage7/install_hdf5.sh index 0757ca1584..0851fcee43 100755 --- a/tools/toolchain/scripts/stage7/install_hdf5.sh +++ b/tools/toolchain/scripts/stage7/install_hdf5.sh @@ -6,8 +6,8 @@ [ "${BASH_SOURCE[0]}" ] && SCRIPT_NAME="${BASH_SOURCE[0]}" || SCRIPT_NAME=$0 SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")/.." && pwd -P)" -hdf5_ver="1.12.0" -hdf5_sha256="97906268640a6e9ce0cde703d5a71c9ac3092eded729591279bf2e3ca9765f61" +hdf5_ver="1.14.2" +hdf5_sha256="ea3c5e257ef322af5e77fc1e52ead3ad6bf3bb4ac06480dd17ee3900d7a24cfb" source "${SCRIPT_DIR}"/common_vars.sh source "${SCRIPT_DIR}"/tool_kit.sh