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LIBXSMM: enabled for Darwin (#3677)

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Hans Pabst 2024-09-13 15:59:40 +02:00 • committed by GitHub
parent 538a8dc7a9
commit 34ae921247
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5 changed files with 32 additions and 9 deletions
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5
INSTALL.md
View file

@ -175,10 +175,11 @@ required.
### 2h. LIBXSMM (optional, improved performance for matrix multiplication)
- A library for matrix operations and deep learning primitives: <https://github.com/hfp/libxsmm/>.
- A library for matrix operations and deep learning primitives:
<https://github.com/libxsmm/libxsmm/>.
- Add `-D__LIBXSMM` to enable it, with suitable include and library paths, e.g.,
`FCFLAGS += -I${LIBXSMM_DIR}/include -D__LIBXSMM` and
`LIBS += -L${LIBXSMM_DIR}/lib -lxsmmf -lxsmm -ldl`
`LIBS += -L${LIBXSMM_DIR}/lib -lxsmmf -lxsmmext -lxsmm -ldl`
- LIBSMM is not used if LIBXSMM is enabled.
### 2i. CUDA (optional, improved performance on GPU systems)

15
arch/Darwin-gnu-arm64.psmp
View file

@ -9,7 +9,7 @@
# Ensure the links in /opt/homebrew/bin to the gcc version
# and "brew unlink openmpi" (or mpich) if installed.
#
# Last update: 12.09.2024
# Last update: 13.09.2024
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@ -43,7 +43,7 @@
./install_cp2k_toolchain.sh --install-all -j${maxtasks} --no-arch-files --target-cpu=${target_cpu} \
--with-cmake=$(brew --prefix cmake) --with-elpa=no --with-fftw=$(brew --prefix fftw) --with-gcc=system \
--with-gsl=$(brew --prefix gsl) --with-hdf5=$(brew --prefix hdf5) --with-libxc=$(brew --prefix libxc) \
--with-libxsmm=no --with-openblas=$(brew --prefix openblas) --with-${mpi_implementation} \
--with-openblas=$(brew --prefix openblas) --with-${mpi_implementation} \
--with-pexsi=no --with-quip=no; \
source ./install/setup; \
cd ../..; \
@ -183,6 +183,17 @@ ifneq ($(USE_SPGLIB),)
LIBS += $(SPGLIB_LIB)/libsymspg.a
endif
ifneq ($(USE_LIBXSMM),)
USE_LIBXSMM := $(strip $(USE_LIBXSMM))
LIBXSMM_INC := $(INSTALL_PATH)/libxsmm-$(USE_LIBXSMM)/include
LIBXSMM_LIB := $(INSTALL_PATH)/libxsmm-$(USE_LIBXSMM)/lib
CFLAGS += -I$(LIBXSMM_INC)
DFLAGS += -D__LIBXSMM
LIBS += $(LIBXSMM_LIB)/libxsmmf.a
LIBS += $(LIBXSMM_LIB)/libxsmmext.a
LIBS += $(LIBXSMM_LIB)/libxsmm.a
endif
ifneq ($(USE_SIRIUS),)
USE_SIRIUS := $(strip $(USE_SIRIUS))
USE_GSL := ${GSL_VER}

15
arch/Darwin-gnu-arm64.ssmp
View file

@ -8,7 +8,7 @@
# Usage: Source this arch file and then run make as instructed.
# Ensure the links in /opt/homebrew/bin to the gcc version.
#
# Last update: 06.09.2024
# Last update: 13.09.2024
#
# \
if [[ "${0}" == "${BASH_SOURCE}" ]]; then \
@ -37,7 +37,7 @@
fi; \
./install_cp2k_toolchain.sh -j${maxtasks} --mpi-mode=no --no-arch-files --target-cpu=${target_cpu} \
--with-cmake=$(brew --prefix cmake) --with-fftw=$(brew --prefix fftw) --with-gcc=system \
--with-libxc=$(brew --prefix libxc) --with-libxsmm=no --with-openblas=$(brew --prefix openblas); \
--with-libxc=$(brew --prefix libxc) --with-openblas=$(brew --prefix openblas); \
source ./install/setup; \
cd ../..; \
echo; \
@ -161,6 +161,17 @@ ifneq ($(USE_SPGLIB),)
LIBS += $(SPGLIB_LIB)/libsymspg.a
endif
ifneq ($(USE_LIBXSMM),)
USE_LIBXSMM := $(strip $(USE_LIBXSMM))
LIBXSMM_INC := $(INSTALL_PATH)/libxsmm-$(USE_LIBXSMM)/include
LIBXSMM_LIB := $(INSTALL_PATH)/libxsmm-$(USE_LIBXSMM)/lib
CFLAGS += -I$(LIBXSMM_INC)
DFLAGS += -D__LIBXSMM
LIBS += $(LIBXSMM_LIB)/libxsmmf.a
LIBS += $(LIBXSMM_LIB)/libxsmmext.a
LIBS += $(LIBXSMM_LIB)/libxsmm.a
endif
FFTW_HOME := $(shell brew --prefix fftw)
CFLAGS += -I$(FFTW_HOME)/include
DFLAGS += -D__FFTW3

2
tools/toolchain/README.md
View file

@ -108,7 +108,7 @@ proprietary software packages, like e.g. MKL, these have to be installed separat
| libvori | LGPL-3 | Yes |
| libvdwxc | [GPL](https://gitlab.com/libvdwxc/libvdwxc/blob/master/LICENSE) | Yes |
| libxc | [MPL](https://gitlab.com/libxc/libxc/blob/master/COPYING) | Yes |
| libxsmm | [BSD 3-Clause](https://github.com/hfp/libxsmm/blob/master/LICENSE.md) | Yes |
| libxsmm | [BSD 3-Clause](https://github.com/libxsmm/libxsmm/blob/master/LICENSE.md) | Yes |
| mpich | [MPICH](https://github.com/pmodels/mpich/blob/master/COPYRIGHT) | [Yes](https://enterprise.dejacode.com/licenses/public/mpich/#license-conditions) |
| openblas | [BSD 3-Clause](https://github.com/xianyi/OpenBLAS/blob/develop/LICENSE) | Yes |
| openmpi | [BSD 3-Clause](https://github.com/open-mpi/ompi/blob/master/LICENSE) | Yes |

4
tools/toolchain/scripts/stage4/install_libxsmm.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)"
libxsmm_ver="3edfb7100cec3322bac9ae4eafea3b3838654ced"
libxsmm_sha256="8ab0a9a60bbbd0efce30f9b40875cbe70d17246a2c7fd6ce5efaaa9a80ea6644"
libxsmm_ver="f7cbb551da7d3ebe82e8c94e5d2cdc4670df0528"
libxsmm_sha256="e458ee3c10bc2b1896b2032853e375684c583b3e5eeec7a6404c3c0811e62467"
source "${SCRIPT_DIR}"/common_vars.sh
source "${SCRIPT_DIR}"/tool_kit.sh
source "${SCRIPT_DIR}"/signal_trap.sh