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Update Piz Daint arch files (add libgrpp)

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This commit is contained in:
Matthias Krack 2023-12-13 15:39:47 +01:00
parent 939f96457e
commit 53bf3198f0
2 changed files with 25 additions and 4 deletions
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14
arch/CRAY-XC40-gnu.psmp
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@ -7,13 +7,13 @@
# 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
# SIRIUS 7.4.3, SPGLIB 1.16.2, LIBGRPP 20231206
#
# 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.
#
# Last update: 04.10.2023
# Last update: 13.12.2023
#
# \
if [ "${0}" = "${BASH_SOURCE}" ]; then \
@ -69,6 +69,7 @@ DO_CHECKS := no
USE_COSMA := 2.6.6
USE_ELPA := 2023.05.001
USE_HDF5 := 1.14.2
USE_LIBGRPP := 20231206
USE_LIBINT := 2.6.0
USE_LIBPEXSI := 1.2.0
USE_LIBVORI := 220621
@ -178,6 +179,15 @@ ifneq ($(USE_LIBXC),)
LIBS += $(LIBXC_LIB)/libxc.a
endif
ifneq ($(USE_LIBGRPP),)
USE_LIBGRPP := $(strip $(USE_LIBGRPP))
LIBGRPP_INC := $(INSTALL_PATH)/libgrpp-main-$(USE_LIBGRPP)/include
LIBGRPP_LIB := $(INSTALL_PATH)/libgrpp-main-$(USE_LIBGRPP)/lib
CFLAGS += -I$(LIBGRPP_INC)
DFLAGS += -D__LIBGRPP
LIBS += $(LIBGRPP_LIB)/liblibgrpp.a
endif
ifneq ($(USE_LIBINT),)
USE_LIBINT := $(strip $(USE_LIBINT))
LMAX := $(strip $(LMAX))

15
arch/CRAY-XC50-gnu.psmp
View file

@ -6,13 +6,14 @@
# Cray-FFTW 3.3.8.10, 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
# PLUMED 2.9.0, SIRIUS 7.4.3, SPGLIB 1.16.2,
# LIBGRPP 20231206
#
# 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.
#
# Last update: 04.10.2023
# Last update: 13.12.2023
#
# \
if [ "${0}" = "${BASH_SOURCE}" ]; then \
@ -71,6 +72,7 @@ USE_ACC := yes
USE_COSMA := 2.6.6
USE_ELPA := 2023.05.001
USE_HDF5 := 1.14.2
USE_LIBGRPP := 20231206
USE_LIBINT := 2.6.0
USE_LIBPEXSI := 1.2.0
USE_LIBVORI := 220621
@ -195,6 +197,15 @@ ifneq ($(USE_LIBXC),)
LIBS += $(LIBXC_LIB)/libxc.a
endif
ifneq ($(USE_LIBGRPP),)
USE_LIBGRPP := $(strip $(USE_LIBGRPP))
LIBGRPP_INC := $(INSTALL_PATH)/libgrpp-main-$(USE_LIBGRPP)/include
LIBGRPP_LIB := $(INSTALL_PATH)/libgrpp-main-$(USE_LIBGRPP)/lib
CFLAGS += -I$(LIBGRPP_INC)
DFLAGS += -D__LIBGRPP
LIBS += $(LIBGRPP_LIB)/liblibgrpp.a
endif
ifneq ($(USE_LIBINT),)
USE_LIBINT := $(strip $(USE_LIBINT))
LMAX := $(strip $(LMAX))