Toolchain: ELPA 2023.05.001 -> 2024.03.001

hfp · Jun 12, 2024 · 014179d · 014179d
1 parent 6fb08d7
commit 014179d
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Showing 8 changed files with 23 additions and 23 deletions.
diff --git 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 1.14.2,
+#              COSMA 2.6.6, ELPA 2024.03.001, 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 7.5.2, SPGLIB 2.3.1, LIBGRPP 20231215,
@@ -14,7 +14,7 @@
 #        A full toolchain installation is performed as default.
 #        Replace or adapt the "module add" commands below if needed.
 #
-# Last update: 11.06.2024
+# Last update: 12.06.2024
 #
 # \
    if [ "${0}" = "${BASH_SOURCE}" ]; then \
@@ -69,7 +69,7 @@
 # Set options
 DO_CHECKS      := no
 USE_COSMA      := 2.6.6
-USE_ELPA       := 2023.05.001
+USE_ELPA       := 2024.03.001
 USE_HDF5       := 1.14.2
 USE_LIBGRPP    := 20231215
 USE_LIBINT     := 2.6.0

diff --git a/arch/CRAY-XC50-gnu.psmp b/arch/CRAY-XC50-gnu.psmp
@@ -3,7 +3,7 @@
 # CP2K arch file for Cray-XC50 (Piz Daint, CSCS, GPU partition)
 #
 # 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,
+#              Cray-FFTW 3.3.8.10, COSMA 2.6.6, ELPA 2024.03.001,
 #              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, SPGLIB 2.3.1, LIBGRPP 20231215,
@@ -13,7 +13,7 @@
 #        A full toolchain installation is performed as default.
 #        Replace or adapt the "module add" commands below if needed.
 #
-# Last update: 11.06.2024
+# Last update: 12.06.2024
 #
 # \
    if [ "${0}" = "${BASH_SOURCE}" ]; then \
@@ -72,7 +72,7 @@ DO_CHECKS      := no
 USE_ACC        := yes
 USE_COSMA      := 2.6.6
 #USE_DEEPMD     := 2.2.7
-USE_ELPA       := 2023.05.001
+USE_ELPA       := 2024.03.001
 USE_HDF5       := 1.14.2
 USE_LIBGRPP    := 20231215
 USE_LIBINT     := 2.6.0

diff --git 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 0.3.27,
 #              FFTW 3.3.10, COSMA 2.6.6,
-#              ELPA 2023.05.001, HDF5 1.14.2,
+#              ELPA 2024.03.001, 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: 09.05.2024
+# Last update: 12.06.2024
 #
 # \
    if [ "${0}" = "${BASH_SOURCE}" ]; then \
@@ -56,7 +56,7 @@ SHARED         := no
 TARGET_CPU     := native
 USE_ACC        := no
 USE_COSMA      := 2.6.6
-USE_ELPA       := 2023.05.001
+USE_ELPA       := 2024.03.001
 USE_FFTW       := 3.3.10
 USE_HDF5       := 1.14.2
 USE_LIBINT     := 2.6.0

diff --git 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 0.3.27,
 #              FFTW 3.3.10, COSMA 2.6.6,
-#              ELPA 2023.05.001, HDF5 1.14.2,
+#              ELPA 2024.03.001, 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: 09.05.2024
+# Last update: 12.06.2024
 #
 # \
    if [ "${0}" = "${BASH_SOURCE}" ]; then \
@@ -57,7 +57,7 @@ SHARED         := no
 TARGET_CPU     := native
 USE_ACC        := yes
 USE_COSMA      := 2.6.6
-USE_ELPA       := 2023.05.001
+USE_ELPA       := 2024.03.001
 USE_FFTW       := 3.3.10
 USE_HDF5       := 1.14.2
 USE_LIBINT     := 2.6.0

diff --git a/arch/Linux-gnu-aarch64.psmp b/arch/Linux-gnu-aarch64.psmp
@@ -6,15 +6,15 @@
 #              ScaLAPACK 2.2.1, OpenBLAS 0.3.27,
 #              FFTW 3.3.10, HDF5 1.14.2,
 #              LIBINT 2.6.0, LIBXC 6.2.2,
-#              ELPA 2023.05.001, PLUMED 2.9.0,
+#              ELPA 2024.03.001, PLUMED 2.9.0,
 #              SPGLIB 2.3.1, LIBVORI 220621,
 #              GSL 2.7, COSMA 2.6.6, SIRIUS 7.5.2,
 #              LIBGRPP 20231215, SPFFT 1.0.6, SPLA 1.6.0
 #
 # Usage: Source this arch file and then run make as instructed.
 #        A full toolchain installation is performed as default.
 #
-# Last update: 11.06.2024
+# Last update: 12.06.2024
 #
 # \
    if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@@ -53,7 +53,7 @@ DO_CHECKS      := no
 SHARED         := no
 TARGET_CPU     := native
 USE_COSMA      := 2.6.6
-USE_ELPA       := 2023.05.001
+USE_ELPA       := 2024.03.001
 USE_FFTW       := 3.3.10
 USE_HDF5       := 1.14.2
 USE_LIBINT     := 2.6.0

diff --git a/arch/Linux-gnu-x86_64.psmp b/arch/Linux-gnu-x86_64.psmp
@@ -4,7 +4,7 @@
 #
 # Tested with: GNU 14.1.0, MPICH 4.0.3 and OpenMPI 4.1.6,
 #              ScaLAPACK 2.2.1, OpenBLAS 0.3.27,
-#              FFTW 3.3.10, ELPA 2023.05.001, HDF5 1.14.2,
+#              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,
 #              COSMA 2.6.6, SIRIUS 7.5.2, LIBTORCH 1.12.1,
@@ -16,7 +16,7 @@
 #        Optionally, GNU compiler and MPI implementation can be specified as arguments.
 #        Replace or adapt the "module add" commands below if needed.
 #
-# Last update: 11.06.2024
+# Last update: 12.06.2024
 #
 # \
    if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@@ -67,7 +67,7 @@ DO_CHECKS      := no
 SHARED         := no
 TARGET_CPU     := native
 USE_COSMA      := 2.6.6
-USE_ELPA       := 2023.05.001
+USE_ELPA       := 2024.03.001
 USE_FFTW       := 3.3.10
 USE_HDF5       := 1.14.2
 USE_LIBGRPP    := 20231215

diff --git a/arch/Linux-intel-x86_64.psmp b/arch/Linux-intel-x86_64.psmp
@@ -3,7 +3,7 @@
 # CP2K (Intel/MKL x86_64) arch file for Linux clusters
 #
 # Tested with: Intel 22.2 , Intel MPI, Intel MKL,
-#              LIBINT 2.6.0, LIBXC 6.2.2, ELPA 2023.05.001,
+#              LIBINT 2.6.0, LIBXC 6.2.2, ELPA 2024.03.001,
 #              PLUMED 2.9.0, SPGLIB 2.3.1, LIBVORI 220621,
 #              GSL 2.7, COSMA 2.6.6, HDF5 1.14.2, SIRIUS 7.5.2,
 #              LIBGRPP 20231215, SPFFT 1.0.6, SPLA 1.5.5
@@ -13,7 +13,7 @@
 #        Optionally, the Intel compiler version can be specified as argument.
 #        Replace or adapt the "module add" commands below if needed.
 #
-# Last update: 09.04.2024
+# Last update: 12.06.2024
 #
 # \
    if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@@ -55,7 +55,7 @@ DO_CHECKS      := no
 SHARED         := no
 TARGET_CPU     := native
 USE_COSMA      := 2.6.6
-USE_ELPA       := 2023.05.001
+USE_ELPA       := 2024.03.001
 USE_HDF5       := 1.14.2
 USE_LIBGRPP    := 20231215
 USE_LIBINT     := 2.6.0

diff --git a/tools/toolchain/scripts/stage5/install_elpa.sh b/tools/toolchain/scripts/stage5/install_elpa.sh
@@ -7,8 +7,8 @@
 SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")/.." && pwd -P)"
 
 # From https://elpa.mpcdf.mpg.de/software/tarball-archive/ELPA_TARBALL_ARCHIVE.html
-elpa_ver="2023.05.001"
-elpa_sha256="ec64be5d6522810d601a3b8e6a31720e3c3eb4af33a434d8a64570d76e6462b6"
+elpa_ver="2024.03.001"
+elpa_sha256="41c6cbf56d2dac26443faaba8a77307d261bf511682a64b96e24def77c813622"
 
 source "${SCRIPT_DIR}"/common_vars.sh
 source "${SCRIPT_DIR}"/tool_kit.sh