Update arch files (COSMA 2.6.5)

cp2k · Apr 17, 2023 · 6588233 · 6588233
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commit 6588233
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Showing 6 changed files with 18 additions and 18 deletions.
diff --git a/arch/CRAY-XC40-gnu.psmp b/arch/CRAY-XC40-gnu.psmp
@@ -3,15 +3,15 @@
 # CP2K arch file for Cray-XC40 (Piz Daint, CSCS, multi-core partition)
 #
 # Tested with: GNU 11.2.0, Cray-MPICH 7.7.18, Cray-libsci 20.09.1, Cray-FFTW 3.3.8.10,
-#              COSMA 2.6.2, ELPA 2022.11.001, LIBINT 2.6.0, LIBPEXSI 1.2.0,
+#              COSMA 2.6.5, ELPA 2022.11.001, LIBINT 2.6.0, LIBPEXSI 1.2.0,
 #              LIBXC 6.1.0, LIBVORI 220621, LIBXSMM 1.17, PLUMED 2.8.1,
 #              SIRIUS 7.4.3, SPGLIB 1.16.2
 #
 # Usage: Source this arch file and then run make as instructed.
 #        A full toolchain installation is performed as default.
 #        Replace or adapt the "module add" commands below if needed.
 #
-# Author: Matthias Krack (03.02.2023)
+# Author: Matthias Krack (17.04.2023)
 #
 # \
    if [ "${0}" = "${BASH_SOURCE}" ]; then \
@@ -61,7 +61,7 @@
 
 # Set options
 DO_CHECKS      := no
-USE_COSMA      := 2.6.2
+USE_COSMA      := 2.6.5
 USE_ELPA       := 2022.11.001
 USE_LIBINT     := 2.6.0
 USE_LIBPEXSI   := 1.2.0

diff --git a/arch/CRAY-XC50-gnu.psmp b/arch/CRAY-XC50-gnu.psmp
@@ -3,15 +3,15 @@
 # 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 2.6.2, ELPA 2022.11.001, LIBINT 2.6.0, LIBPEXSI 1.2.0,
+#              COSMA 2.6.5, ELPA 2022.11.001, LIBINT 2.6.0, LIBPEXSI 1.2.0,
 #              LIBXC 6.1.0, LIBVORI 220621, LIBXSMM 1.17, PLUMED 2.8.1,
 #              SIRIUS 7.4.3, SPGLIB 1.16.2
 #
 # Usage: Source this arch file and then run make as instructed.
 #        A full toolchain installation is performed as default.
 #        Replace or adapt the "module add" commands below if needed.
 #
-# Author: Matthias Krack (03.02.2023)
+# Author: Matthias Krack (17.04.2023)
 #
 # \
    if [ "${0}" = "${BASH_SOURCE}" ]; then \
@@ -64,7 +64,7 @@
 # Set options
 DO_CHECKS      := no
 USE_ACC        := yes
-USE_COSMA      := 2.6.2
+USE_COSMA      := 2.6.5
 USE_ELPA       := 2022.11.001
 USE_LIBINT     := 2.6.0
 USE_LIBPEXSI   := 1.2.0

diff --git a/arch/Darwin-gnu-arm64.psmp b/arch/Darwin-gnu-arm64.psmp
@@ -6,12 +6,12 @@
 # Tested with: GNU 12.2.0, MPICH 4.0.3,
 #              ScaLAPACK 2.2.1, OpenBLAS 0.3.21, FFTW 3.3.10, LIBINT 2.6.0,
 #              LIBXC 6.1.0, SPGLIB 1.16.2, PLUMED 2.8.1,
-#              LIBVORI 220621, GSL 2.7, COSMA 2.6.2, SIRIUS 7.4.3
+#              LIBVORI 220621, GSL 2.7, COSMA 2.6.5, SIRIUS 7.4.3
 # on an Apple M1 (macOS Ventura 13.1)
 #
 # Usage: Source this arch file and then run make as instructed.
 #
-# Author: Matthias Krack (03.02.2023)
+# Author: Matthias Krack (17.04.2023)
 #
 # \
    if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@@ -51,7 +51,7 @@
 DO_CHECKS      := no
 SHARED         := no
 TARGET_CPU     := native
-USE_COSMA      := 2.6.2
+USE_COSMA      := 2.6.5
 USE_FFTW       := 3.3.10
 USE_LIBINT     := 2.6.0
 USE_LIBVORI    := 220621

diff --git a/arch/Linux-gnu-aarch64.psmp b/arch/Linux-gnu-aarch64.psmp
@@ -5,12 +5,12 @@
 # Tested with: GNU 12.2.0, MPICH 4.0.3,
 #              ScaLAPACK 2.2.1, OpenBLAS 0.3.21, FFTW 3.3.10, LIBINT 2.6.0,
 #              LIBXC 6.1.0, ELPA 2022.11.001, PLUMED 2.8.1, SPGLIB 1.16.2,
-#              LIBVORI 220621, GSL 2.7, COSMA 2.6.2, SIRIUS 7.4.3
+#              LIBVORI 220621, GSL 2.7, COSMA 2.6.5, SIRIUS 7.4.3
 #
 # Usage: Source this arch file and then run make as instructed.
 #        A full toolchain installation is performed as default.
 #
-# Author: Matthias Krack (03.02.2023)
+# Author: Matthias Krack (17.04.2023)
 #
 # \
    if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@@ -41,7 +41,7 @@
 DO_CHECKS      := no
 SHARED         := no
 TARGET_CPU     := native
-USE_COSMA      := 2.6.2
+USE_COSMA      := 2.6.5
 USE_ELPA       := 2022.11.001
 USE_FFTW       := 3.3.10
 USE_LIBINT     := 2.6.0

diff --git a/arch/Linux-gnu-x86_64.psmp b/arch/Linux-gnu-x86_64.psmp
@@ -5,15 +5,15 @@
 # Tested with: GNU 12.2.0, MPICH 4.0.3 and OpenMPI 4.1.4,
 #              ScaLAPACK 2.2.1, OpenBLAS 0.3.21, FFTW 3.3.10, LIBINT 2.6.0,
 #              LIBXC 6.1.0, ELPA 2022.11.001, PLUMED 2.8.1, SPGLIB 1.16.2,
-#              LIBVORI 220621, GSL 2.7, COSMA 2.6.2, SIRIUS 7.4.3, LIBTORCH 1.12.1
+#              LIBVORI 220621, GSL 2.7, COSMA 2.6.5, SIRIUS 7.4.3, LIBTORCH 1.12.1
 # on the Merlin cluster (PSI)
 #
 # Usage: Source this arch file and then run make as instructed.
 #        A full toolchain installation is performed as default.
 #        Optionally, GNU compiler and MPI implementation can be specified as arguments.
 #        Replace or adapt the "module add" commands below if needed.
 #
-# Author: Matthias Krack (03.02.2023)
+# Author: Matthias Krack (17.04.2023)
 #
 # \
    if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@@ -56,7 +56,7 @@
 DO_CHECKS      := no
 SHARED         := no
 TARGET_CPU     := native
-USE_COSMA      := 2.6.2
+USE_COSMA      := 2.6.5
 USE_ELPA       := 2022.11.001
 USE_FFTW       := 3.3.10
 USE_LIBINT     := 2.6.0

diff --git 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 6.1.0, ELPA 2022.11.001,
 #              PLUMED 2.8.1, SPGLIB 1.16.2, LIBVORI 220621,
-#              GSL 2.7, COSMA 2.6.2
+#              GSL 2.7, COSMA 2.6.5
 #
 # 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.
 #
-# Author: Matthias Krack (20.03.2023)
+# Author: Matthias Krack (17.04.2023)
 #
 # \
    if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@@ -46,7 +46,7 @@
 DO_CHECKS      := no
 SHARED         := no
 TARGET_CPU     := native
-USE_COSMA      := 2.6.2
+USE_COSMA      := 2.6.5
 USE_ELPA       := 2022.11.001
 USE_LIBINT     := 2.6.0
 USE_LIBPEXSI   := 1.2.0