Makefile.include.aocc ompi aocl omp: Difference between revisions
(Created page with "{{DISPLAYTITLE:makefile.include.aocc_ompi_aocl_omp}} <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 \ -D_OPENMP CPP = flang -E -ffree-form -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP...") |
No edit summary |
||
Line 8: | Line 8: | ||
-Davoidalloc \ | -Davoidalloc \ | ||
-Dvasp6 \ | -Dvasp6 \ | ||
-Dtbdyn \ | -Dtbdyn \ | ||
-Dfock_dblbuf \ | -Dfock_dblbuf \ | ||
Line 22: | Line 21: | ||
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 | ||
Line 35: | Line 30: | ||
CC_LIB = clang | CC_LIB = clang | ||
CFLAGS_LIB = -O | CFLAGS_LIB = -O | ||
FFLAGS_LIB = -O1 | FFLAGS_LIB = -O1 | ||
FREE_LIB = $(FREE) | FREE_LIB = $(FREE) | ||
Line 74: | Line 69: | ||
INCS += -I$(AMDFFTW_ROOT)/include | INCS += -I$(AMDFFTW_ROOT)/include | ||
# HDF5-support (optional but strongly recommended) | # HDF5-support (optional but strongly recommended, and mandatory for some features) | ||
#CPP_OPTIONS+= -DVASP_HDF5 | #CPP_OPTIONS+= -DVASP_HDF5 | ||
#HDF5_ROOT ?= /path/to/your/hdf5/installation | #HDF5_ROOT ?= /path/to/your/hdf5/installation | ||
Line 92: | Line 87: | ||
#LIBS += fftlib | #LIBS += fftlib | ||
#LLIBS += -ldl | #LLIBS += -ldl | ||
# For machine learning library vaspml (experimental) | |||
#CPP_OPTIONS += -Dlibvaspml | |||
#CPP_OPTIONS += -DVASPML_USE_CBLAS | |||
#CPP_OPTIONS += -DVASPML_DEBUG_LEVEL=3 | |||
#CXX_ML = mpic++ -fopenmp | |||
#CXXFLAGS_ML = -O3 -std=c++17 -Wall -Wextra | |||
#INCLUDE_ML = -I${AMDBLIS_ROOT}/include/blis -I${AMDLIBFLAME_ROOT}/include | |||
</pre> | </pre> | ||
---- | ---- |
Latest revision as of 13:53, 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 \ -D_OPENMP CPP = flang -E -ffree-form -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS) FC = mpif90 -fopenmp FCL = mpif90 -fopenmp 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++ ## ## 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-mt # 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 -lfftw3_omp 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 the fftlib library (recommended) #CPP_OPTIONS+= -Dsysv #FCL += fftlib.o #CXX_FFTLIB = clang++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE #INCS_FFTLIB = -I./include -I$(AMDFFTW_ROOT)/include #LIBS += fftlib #LLIBS += -ldl # For machine learning library vaspml (experimental) #CPP_OPTIONS += -Dlibvaspml #CPP_OPTIONS += -DVASPML_USE_CBLAS #CPP_OPTIONS += -DVASPML_DEBUG_LEVEL=3 #CXX_ML = mpic++ -fopenmp #CXXFLAGS_ML = -O3 -std=c++17 -Wall -Wextra #INCLUDE_ML = -I${AMDBLIS_ROOT}/include/blis -I${AMDLIBFLAME_ROOT}/include