From cebb65e3a93fe490e8f7435957a27a406ba398e1 Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Tue, 12 Mar 2024 17:14:08 +0100 Subject: [PATCH] OpenBLAS 0.3.25 -> 0.3.26 --- arch/Darwin-gnu-arm64.psmp | 2 +- arch/Darwin-gnu-arm64.ssmp | 2 +- arch/JURECA-cpu.psmp | 4 ++-- arch/JURECA-gpu.psmp | 4 ++-- arch/Linux-gnu-aarch64-static.ssmp | 4 ++-- arch/Linux-gnu-aarch64.psmp | 4 ++-- arch/Linux-gnu-x86_64-static.ssmp | 4 ++-- arch/Linux-gnu-x86_64.psmp | 4 ++-- tools/toolchain/scripts/get_openblas_arch.sh | 4 ++-- tools/toolchain/scripts/stage2/install_openblas.sh | 4 ++-- 10 files changed, 18 insertions(+), 18 deletions(-) diff --git a/arch/Darwin-gnu-arm64.psmp b/arch/Darwin-gnu-arm64.psmp index 6b1d9d75e5..cadf9dbdbe 100644 --- a/arch/Darwin-gnu-arm64.psmp +++ b/arch/Darwin-gnu-arm64.psmp @@ -4,7 +4,7 @@ # (https://www.cp2k.org/howto:compile_on_macos) # # Tested with: GNU 13.2.0, OpenMPI 4.1.5,, -# ScaLAPACK 2.2.1, OpenBLAS 0.3.25, +# ScaLAPACK 2.2.1, OpenBLAS 0.3.26, # FFTW 3.3.10, HDF5 1.14.2, # LIBINT 2.6.0, LIBXC 6.2.2, # SPGLIB 1.16.2, PLUMED 2.9.0, diff --git a/arch/Darwin-gnu-arm64.ssmp b/arch/Darwin-gnu-arm64.ssmp index eef0530b59..be1cdfcf43 100644 --- a/arch/Darwin-gnu-arm64.ssmp +++ b/arch/Darwin-gnu-arm64.ssmp @@ -4,7 +4,7 @@ # (https://www.cp2k.org/howto:compile_on_macos) # # Tested with: GNU 13.2.0, FFTW 3.3.10, LIBINT 2.6.0, LIBVORI 220621, -# LIBXC 6.2.2, OpenBLAS 0.3.25, SPGLIB 1.16.2, +# LIBXC 6.2.2, OpenBLAS 0.3.26, SPGLIB 1.16.2, # LIBGRPP 20231215 # on an Apple M1 (macOS 14.2.1 Sonoma) # diff --git a/arch/JURECA-cpu.psmp b/arch/JURECA-cpu.psmp index 743e19d956..ee9398636c 100644 --- a/arch/JURECA-cpu.psmp +++ b/arch/JURECA-cpu.psmp @@ -3,7 +3,7 @@ # CP2K arch file for JURECA at FZ Juelich (2 AMD EPYC 7742 CPUs per node) # # Tested with: GNU 11.3.0, ParaStationMPI, -# ScaLAPACK 2.2.1, OpenBLAS 0.3.25, +# ScaLAPACK 2.2.1, OpenBLAS 0.3.26, # FFTW 3.3.10, COSMA 2.6.6, # ELPA 2023.05.001, HDF5 1.14.2, # LIBINT 2.6.0, LIBPEXSI 1.2.0, @@ -64,7 +64,7 @@ USE_LIBTORCH := 1.12.1 USE_LIBVORI := 220621 USE_LIBXC := 6.2.2 USE_LIBXSMM := 1.17 -USE_OPENBLAS := 0.3.25 +USE_OPENBLAS := 0.3.26 USE_PLUMED := 2.9.0 USE_QUIP := 0.9.10 USE_SCALAPACK := 2.2.1 diff --git a/arch/JURECA-gpu.psmp b/arch/JURECA-gpu.psmp index 0322a43534..f6d2b2d49e 100644 --- a/arch/JURECA-gpu.psmp +++ b/arch/JURECA-gpu.psmp @@ -3,7 +3,7 @@ # CP2K arch file for JURECA at FZ Juelich (2 AMD EPYC 7742 CPUs and 4 A100 GPUs per node) # # Tested with: GNU 11.3.0, ParaStationMPI, -# ScaLAPACK 2.2.1, OpenBLAS 0.3.25, +# ScaLAPACK 2.2.1, OpenBLAS 0.3.26, # FFTW 3.3.10, COSMA 2.6.6, # ELPA 2023.05.001, HDF5 1.14.2, # LIBINT 2.6.0, LIBPEXSI 1.2.0, @@ -65,7 +65,7 @@ USE_LIBTORCH := 1.12.1 USE_LIBVORI := 220621 USE_LIBXC := 6.2.2 USE_LIBXSMM := 1.17 -USE_OPENBLAS := 0.3.25 +USE_OPENBLAS := 0.3.26 USE_PLUMED := 2.9.0 USE_QUIP := 0.9.10 USE_SCALAPACK := 2.2.1 diff --git a/arch/Linux-gnu-aarch64-static.ssmp b/arch/Linux-gnu-aarch64-static.ssmp index 911b7b4bfa..1b208f80d1 100644 --- a/arch/Linux-gnu-aarch64-static.ssmp +++ b/arch/Linux-gnu-aarch64-static.ssmp @@ -3,7 +3,7 @@ # CP2K (GNU aarch64) arch file for a serial static ARM64 binary # # Tested with: GNU 12.3.0, FFTW 3.3.10, LIBINT 2.6.0, LIBVORI 220621, -# LIBXC 6.2.2, OpenBLAS 0.3.25, SPGLIB 1.16.2 +# LIBXC 6.2.2, OpenBLAS 0.3.26, SPGLIB 1.16.2 # # Usage: Source this arch file and then run make as instructed. # @@ -37,7 +37,7 @@ USE_FFTW := 3.3.10 USE_LIBINT := 2.6.0 USE_LIBVORI := 220621 USE_LIBXC := 6.2.2 -USE_OPENBLAS := 0.3.25 +USE_OPENBLAS := 0.3.26 USE_SPGLIB := 1.16.2 LMAX := 5 diff --git a/arch/Linux-gnu-aarch64.psmp b/arch/Linux-gnu-aarch64.psmp index 200eab0e1b..34d5e91b17 100644 --- a/arch/Linux-gnu-aarch64.psmp +++ b/arch/Linux-gnu-aarch64.psmp @@ -3,7 +3,7 @@ # CP2K (GNU aarch64) arch file for Linux clusters # # Tested with: GNU 12.3.0, MPICH 4.0.3, -# ScaLAPACK 2.2.1, OpenBLAS 0.3.25, +# ScaLAPACK 2.2.1, OpenBLAS 0.3.26, # FFTW 3.3.10, HDF5 1.14.2, # LIBINT 2.6.0, LIBXC 6.2.2, # ELPA 2023.05.001, PLUMED 2.9.0, @@ -60,7 +60,7 @@ USE_LIBPEXSI := 1.2.0 USE_LIBVORI := 220621 USE_LIBXC := 6.2.2 #USE_LIBXSMM := 1.17 -USE_OPENBLAS := 0.3.25 +USE_OPENBLAS := 0.3.26 USE_PLUMED := 2.9.0 USE_QUIP := 0.9.10 USE_SCALAPACK := 2.2.1 diff --git a/arch/Linux-gnu-x86_64-static.ssmp b/arch/Linux-gnu-x86_64-static.ssmp index cfdc69fa67..75738e8350 100644 --- a/arch/Linux-gnu-x86_64-static.ssmp +++ b/arch/Linux-gnu-x86_64-static.ssmp @@ -3,7 +3,7 @@ # CP2K (GNU) arch file for a serial static x86_64 binary # # Tested with: GNU 13.1.0, FFTW 3.3.10, LIBINT 2.6.0, LIBVORI 220621, -# LIBXC 6.2.2, OpenBLAS 0.3.25, SPGLIB 1.16.2 +# LIBXC 6.2.2, OpenBLAS 0.3.26, SPGLIB 1.16.2 # # Usage: Source this arch file and then run make as instructed. # @@ -37,7 +37,7 @@ USE_FFTW := 3.3.10 USE_LIBINT := 2.6.0 USE_LIBVORI := 220621 USE_LIBXC := 6.2.2 -USE_OPENBLAS := 0.3.25 +USE_OPENBLAS := 0.3.26 USE_SPGLIB := 1.16.2 LMAX := 5 diff --git a/arch/Linux-gnu-x86_64.psmp b/arch/Linux-gnu-x86_64.psmp index d66e8f7ef7..1b1202f7e1 100644 --- a/arch/Linux-gnu-x86_64.psmp +++ b/arch/Linux-gnu-x86_64.psmp @@ -3,7 +3,7 @@ # CP2K (GNU x86_64) arch file for Linux clusters # # Tested with: GNU 13.1.0, MPICH 4.0.3 and OpenMPI 4.1.5, -# ScaLAPACK 2.2.1, OpenBLAS 0.3.25, +# ScaLAPACK 2.2.1, OpenBLAS 0.3.26, # 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, @@ -76,7 +76,7 @@ USE_LIBTORCH := 1.12.1 USE_LIBVORI := 220621 USE_LIBXC := 6.2.2 USE_LIBXSMM := 1.17 -USE_OPENBLAS := 0.3.25 +USE_OPENBLAS := 0.3.26 USE_PLUMED := 2.9.0 USE_QUIP := 0.9.10 USE_SCALAPACK := 2.2.1 diff --git a/tools/toolchain/scripts/get_openblas_arch.sh b/tools/toolchain/scripts/get_openblas_arch.sh index 5f82e82df2..3e7e1aaa68 100755 --- a/tools/toolchain/scripts/get_openblas_arch.sh +++ b/tools/toolchain/scripts/get_openblas_arch.sh @@ -6,8 +6,8 @@ [ "${BASH_SOURCE[0]}" ] && SCRIPT_NAME="${BASH_SOURCE[0]}" || SCRIPT_NAME=$0 SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")" && pwd -P)" -openblas_ver="0.3.25" # Keep in sync with install_openblas.sh -openblas_sha256="4c25cb30c4bb23eddca05d7d0a85997b8db6144f5464ba7f8c09ce91e2f35543" +openblas_ver="0.3.26" # Keep in sync with install_openblas.sh +openblas_sha256="4e6e4f5cb14c209262e33e6816d70221a2fe49eb69eaf0a06f065598ac602c68" openblas_pkg="OpenBLAS-${openblas_ver}.tar.gz" source "${SCRIPT_DIR}"/common_vars.sh diff --git a/tools/toolchain/scripts/stage2/install_openblas.sh b/tools/toolchain/scripts/stage2/install_openblas.sh index 67ab529ac3..6df1c247f5 100755 --- a/tools/toolchain/scripts/stage2/install_openblas.sh +++ b/tools/toolchain/scripts/stage2/install_openblas.sh @@ -6,8 +6,8 @@ [ "${BASH_SOURCE[0]}" ] && SCRIPT_NAME="${BASH_SOURCE[0]}" || SCRIPT_NAME=$0 SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")/.." && pwd -P)" -openblas_ver="0.3.25" # Keep in sync with get_openblas_arch.sh -openblas_sha256="4c25cb30c4bb23eddca05d7d0a85997b8db6144f5464ba7f8c09ce91e2f35543" +openblas_ver="0.3.26" # Keep in sync with get_openblas_arch.sh +openblas_sha256="4e6e4f5cb14c209262e33e6816d70221a2fe49eb69eaf0a06f065598ac602c68" openblas_pkg="OpenBLAS-${openblas_ver}.tar.gz" source "${SCRIPT_DIR}"/common_vars.sh