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OpenBLAS 0.3.27 - 0.3.28 (#3623)

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Matthias Krack 2024-08-12 13:56:32 +02:00 • committed by GitHub
parent 98eb17cd68
commit 5f7769af9b
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GPG key ID: B5690EEEBB952194
8 changed files with 22 additions and 22 deletions
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6
arch/JURECA-cpu.psmp
View file

@ -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 0.3.27,
# ScaLAPACK 2.2.1, OpenBLAS 0.3.28,
# FFTW 3.3.10, COSMA 2.6.6,
# ELPA 2024.03.001, HDF5 1.14.2,
# LIBINT 2.6.0, LIBPEXSI 1.2.0,
@ -15,7 +15,7 @@
# A full toolchain installation is performed as default.
# Replace or adapt the "module add" commands below if needed.
#
# Last update: 12.06.2024
# Last update: 12.08.2024
#
# \
if [ "${0}" = "${BASH_SOURCE}" ]; then \
@ -65,7 +65,7 @@ USE_LIBTORCH := 1.12.1
USE_LIBVORI := 220621
USE_LIBXC := 6.2.2
USE_LIBXSMM := 1.17
USE_OPENBLAS := 0.3.27
USE_OPENBLAS := 0.3.28
USE_PLUMED := 2.9.0
USE_QUIP := 0.9.10
USE_SCALAPACK := 2.2.1

6
arch/JURECA-gpu.psmp
View file

@ -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 0.3.27,
# ScaLAPACK 2.2.1, OpenBLAS 0.3.28,
# FFTW 3.3.10, COSMA 2.6.6,
# ELPA 2024.03.001, HDF5 1.14.2,
# LIBINT 2.6.0, LIBPEXSI 1.2.0,
@ -15,7 +15,7 @@
# A full toolchain installation is performed as default.
# Replace or adapt the "module add" commands below if needed.
#
# Last update: 12.06.2024
# Last update: 12.08.2024
#
# \
if [ "${0}" = "${BASH_SOURCE}" ]; then \
@ -66,7 +66,7 @@ USE_LIBTORCH := 1.12.1
USE_LIBVORI := 220621
USE_LIBXC := 6.2.2
USE_LIBXSMM := 1.17
USE_OPENBLAS := 0.3.27
USE_OPENBLAS := 0.3.28
USE_PLUMED := 2.9.0
USE_QUIP := 0.9.10
USE_SCALAPACK := 2.2.1

6
arch/Linux-gnu-aarch64-static.ssmp
View file

@ -3,12 +3,12 @@
# CP2K (GNU aarch64) arch file for a serial static ARM64 binary
#
# Tested with: GNU 14.1.0, FFTW 3.3.10, LIBINT 2.6.0, LIBVORI 220621,
# LIBXC 6.2.2, OpenBLAS 0.3.27, SPGLIB 2.3.1, DFTD4 3.6.0,
# LIBXC 6.2.2, OpenBLAS 0.3.28, SPGLIB 2.3.1, DFTD4 3.6.0,
# LIBGRPP 20231225
#
# Usage: Source this arch file and then run make as instructed.
#
# Last update: 04.08.2024
# Last update: 12.08.2024
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@ -42,7 +42,7 @@ USE_LIBGRPP := 20231225
USE_LIBINT := 2.6.0
USE_LIBVORI := 220621
USE_LIBXC := 6.2.2
USE_OPENBLAS := 0.3.27
USE_OPENBLAS := 0.3.28
USE_SPGLIB := 2.3.1
LMAX := 5

6
arch/Linux-gnu-aarch64.psmp
View file

@ -3,7 +3,7 @@
# CP2K (GNU aarch64) arch file for Linux clusters
#
# Tested with: GNU 14.1.0, MPICH 4.0.3,
# ScaLAPACK 2.2.1, OpenBLAS 0.3.27,
# ScaLAPACK 2.2.1, OpenBLAS 0.3.28,
# FFTW 3.3.10, HDF5 1.14.2,
# LIBINT 2.6.0, LIBXC 6.2.2,
# ELPA 2024.03.001, PLUMED 2.9.0,
@ -15,7 +15,7 @@
# Usage: Source this arch file and then run make as instructed.
# A full toolchain installation is performed as default.
#
# Last update: 04.08.2024
# Last update: 12.08.2024
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@ -65,7 +65,7 @@ USE_LIBPEXSI := 1.2.0
USE_LIBVORI := 220621
USE_LIBXC := 6.2.2
#USE_LIBXSMM := 1.17
USE_OPENBLAS := 0.3.27
USE_OPENBLAS := 0.3.28
USE_PLUMED := 2.9.0
USE_QUIP := 0.9.10
USE_SCALAPACK := 2.2.1

6
arch/Linux-gnu-x86_64-static.ssmp
View file

@ -3,12 +3,12 @@
# CP2K (GNU) arch file for a serial static x86_64 binary
#
# Tested with: GNU 14.1.0, FFTW 3.3.10, LIBINT 2.6.0, LIBVORI 220621,
# LIBXC 6.2.2, OpenBLAS 0.3.27, SPGLIB 2.3.1, LIBVORI 220621,
# LIBXC 6.2.2, OpenBLAS 0.3.28, SPGLIB 2.3.1, LIBVORI 220621,
# LIBGRPP 20231225, DFTD4 3.6.0
#
# Usage: Source this arch file and then run make as instructed.
#
# Last update: 04.08.2024
# Last update: 12.08.2024
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@ -43,7 +43,7 @@ USE_LIBGRPP := 20231225
USE_LIBINT := 2.6.0
USE_LIBVORI := 220621
USE_LIBXC := 6.2.2
USE_OPENBLAS := 0.3.27
USE_OPENBLAS := 0.3.28
USE_SPGLIB := 2.3.1
LMAX := 5

6
arch/Linux-gnu-x86_64.psmp
View file

@ -3,7 +3,7 @@
# CP2K (GNU x86_64) arch file for Linux clusters
#
# Tested with: GNU 14.1.0, MPICH 4.0.3 and OpenMPI 5.0.5,
# ScaLAPACK 2.2.1, OpenBLAS 0.3.27,
# ScaLAPACK 2.2.1, OpenBLAS 0.3.28,
# FFTW 3.3.10, ELPA 2024.03.001, HDF5 1.14.2,
# LIBINT 2.6.0, LIBXC 6.2.2, PLUMED 2.9.0,
# SPGLIB 2.3.1, LIBVORI 220621, GSL 2.7,
@ -17,7 +17,7 @@
# Optionally, GNU compiler and MPI implementation can be specified as arguments.
# Replace or adapt the "module add" commands below if needed.
#
# Last update: 04.08.2024
# Last update: 12.08.2024
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@ -82,7 +82,7 @@ USE_LIBTORCH := 1.12.1
USE_LIBVORI := 220621
USE_LIBXC := 6.2.2
USE_LIBXSMM := 1.17
USE_OPENBLAS := 0.3.27
USE_OPENBLAS := 0.3.28
USE_PLUMED := 2.9.0
USE_QUIP := 0.9.10
USE_SCALAPACK := 2.2.1

4
tools/toolchain/scripts/get_openblas_arch.sh
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@ -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="0.3.27" # Keep in sync with install_openblas.sh
openblas_sha256="aa2d68b1564fe2b13bc292672608e9cdeeeb6dc34995512e65c3b10f4599e897"
openblas_ver="0.3.28" # Keep in sync with install_openblas.sh
openblas_sha256="f1003466ad074e9b0c8d421a204121100b0751c96fc6fcf3d1456bd12f8a00a1"
openblas_pkg="OpenBLAS-${openblas_ver}.tar.gz"
source "${SCRIPT_DIR}"/common_vars.sh

4
tools/toolchain/scripts/stage2/install_openblas.sh
View file

@ -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="0.3.27" # Keep in sync with get_openblas_arch.sh
openblas_sha256="aa2d68b1564fe2b13bc292672608e9cdeeeb6dc34995512e65c3b10f4599e897"
openblas_ver="0.3.28" # Keep in sync with get_openblas_arch.sh
openblas_sha256="f1003466ad074e9b0c8d421a204121100b0751c96fc6fcf3d1456bd12f8a00a1"
openblas_pkg="OpenBLAS-${openblas_ver}.tar.gz"
source "${SCRIPT_DIR}"/common_vars.sh