# 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 -Duse_shmem -Dshmem_bcast_buffer -Dshmem_rproj CPP = flang -E -ffree-form -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS) -ffree-form 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 OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o OBJECTS_O2 += fft3dlib.o # 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 getshmem.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=@gccArch@ 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$(AMDFFTW_ROOT)/include # HDF5-support (optional but strongly recommended) CPP_OPTIONS+= -DVASP_HDF5 HDF5_ROOT ?= /path/to/your/hdf5/installation LLIBS += -L$(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