Makefile.include.aocc ompi aocl: Difference between revisions
(Created page with "<pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf CPP = flang -E -ffree-form -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS) FC = mpif90 FCL = mpif90 FREE = -ffree-form...") |
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{{DISPLAYTITLE:makefile.include.aocc_ompi_aocl}} | |||
<pre> | <pre> | ||
# Default precompiler options | # Default precompiler options | ||
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-Davoidalloc \ | -Davoidalloc \ | ||
-Dvasp6 \ | -Dvasp6 \ | ||
-Dtbdyn \ | -Dtbdyn \ | ||
-Dfock_dblbuf | -Dfock_dblbuf | ||
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FFLAGS = -w -fno-fortran-main -Mbackslash | FFLAGS = -w -fno-fortran-main -Mbackslash | ||
OFLAG = -O2 | OFLAG = -O2 | ||
OFLAG_IN = $(OFLAG) | OFLAG_IN = $(OFLAG) | ||
DEBUG = -O0 | DEBUG = -O0 | ||
# For what used to be vasp.5.lib | # For what used to be vasp.5.lib | ||
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CC_LIB = clang | CC_LIB = clang | ||
CFLAGS_LIB = -O | CFLAGS_LIB = -O | ||
FFLAGS_LIB = -O1 | FFLAGS_LIB = -O1 | ||
FREE_LIB = $(FREE) | FREE_LIB = $(FREE) | ||
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CXX_PARS = clang++ | CXX_PARS = clang++ | ||
LLIBS = -lstdc++ | LLIBS = -lstdc++ | ||
# WAR for AOCC versions >= 4.0 | |||
OBJECTS_O1 += symlib.o | |||
## | ## | ||
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## necessary ... | ## necessary ... | ||
## | ## | ||
# When compiling on the target machine itself, change this to the | # When compiling on the target machine itself, change this to the | ||
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INCS += -I$(AMDFFTW_ROOT)/include | INCS += -I$(AMDFFTW_ROOT)/include | ||
# HDF5-support (optional but strongly recommended) | # HDF5-support (optional but strongly recommended, and mandatory for some features) | ||
#CPP_OPTIONS+= -DVASP_HDF5 | #CPP_OPTIONS+= -DVASP_HDF5 | ||
#HDF5_ROOT ?= /path/to/your/hdf5/installation | #HDF5_ROOT ?= /path/to/your/hdf5/installation | ||
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#WANNIER90_ROOT ?= /path/to/your/wannier90/installation | #WANNIER90_ROOT ?= /path/to/your/wannier90/installation | ||
#LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier | #LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier | ||
# For machine learning library vaspml (experimental) | |||
#CPP_OPTIONS += -Dlibvaspml | |||
#CPP_OPTIONS += -DVASPML_USE_CBLAS | |||
#CPP_OPTIONS += -DVASPML_DEBUG_LEVEL=3 | |||
#CXX_ML = mpic++ | |||
#CXXFLAGS_ML = -O3 -std=c++17 -Wall -Wextra | |||
#INCLUDE_ML = -I${AMDBLIS_ROOT}/include/blis -I${AMDLIBFLAME_ROOT}/include | |||
</pre> | </pre> | ||
--- | ----- | ||
[[makefile.include]] | [[makefile.include]] | ||
[[Category:VASP]] | [[Category:VASP]] | ||
[[Category:Installation]] | [[Category:Installation]] | ||
Latest revision as of 13:51, 18 December 2024
# Default precompiler options
CPP_OPTIONS = -DHOST=\"LinuxGNU\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-Dvasp6 \
-Dtbdyn \
-Dfock_dblbuf
CPP = flang -E -ffree-form -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)
FC = mpif90
FCL = mpif90
FREE = -ffree-form -ffree-line-length-none
FFLAGS = -w -fno-fortran-main -Mbackslash
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = clang
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)
OBJECTS_LIB = linpack_double.o
# For the parser library
CXX_PARS = clang++
LLIBS = -lstdc++
# WAR for AOCC versions >= 4.0
OBJECTS_O1 += symlib.o
##
## Customize as of this point! Of course you may change the preceding
## part of this file as well if you like, but it should rarely be
## necessary ...
##
# When compiling on the target machine itself, change this to the
# relevant target when cross-compiling for another architecture
VASP_TARGET_CPU ?= -march=native
FFLAGS += $(VASP_TARGET_CPU)
# BLAS (mandatory)
AMDBLIS_ROOT ?= /path/to/your/amdblis/installation
BLAS = -L${AMDBLIS_ROOT}/lib -lblis
# LAPACK (mandatory)
AMDLIBFLAME_ROOT ?= /path/to/your/amdlibflame/installation
LAPACK = -L${AMDLIBFLAME_ROOT}/lib -lflame
# scaLAPACK (mandatory)
AMDSCALAPACK_ROOT ?= /path/to/your/amdscalapack/installation
SCALAPACK = -L${AMDSCALAPACK_ROOT}/lib -lscalapack
LLIBS += $(SCALAPACK) $(LAPACK) $(BLAS)
# FFTW (mandatory)
AMDFFTW_ROOT ?= /path/to/your/amdfftw/installation
LLIBS += -L$(AMDFFTW_ROOT)/lib -lfftw3
INCS += -I$(AMDFFTW_ROOT)/include
# HDF5-support (optional but strongly recommended, and mandatory for some features)
#CPP_OPTIONS+= -DVASP_HDF5
#HDF5_ROOT ?= /path/to/your/hdf5/installation
#LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran
#INCS += -I$(HDF5_ROOT)/include
# For the VASP-2-Wannier90 interface (optional)
#CPP_OPTIONS += -DVASP2WANNIER90
#WANNIER90_ROOT ?= /path/to/your/wannier90/installation
#LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier
# For machine learning library vaspml (experimental)
#CPP_OPTIONS += -Dlibvaspml
#CPP_OPTIONS += -DVASPML_USE_CBLAS
#CPP_OPTIONS += -DVASPML_DEBUG_LEVEL=3
#CXX_ML = mpic++
#CXXFLAGS_ML = -O3 -std=c++17 -Wall -Wextra
#INCLUDE_ML = -I${AMDBLIS_ROOT}/include/blis -I${AMDLIBFLAME_ROOT}/include