# Default precompiler options
CPP_OPTIONS = -DHOST=\"LinuxGNU\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-Dvasp6 \
-Dtbdyn \
-Dfock_dblbuf \
-DAMDFLANG
CPP = cpp --traditional -E -P $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)
FC = mpif90
FCL = mpif90
FREE = -ffree-form -ffixed-line-length=1024
FFLAGS = -w #-fbackslash -w
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = amdclang
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)
OBJECTS_LIB = linpack_double.o
# For the parser library
CXX_PARS = amdclang++
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 ?=
FFLAGS += $(VASP_TARGET_CPU)
# BLAS (mandatory)
AMDBLIS_ROOT ?= /path/to/your/blis/installation
BLAS = -L${AMDBLIS_ROOT}/lib/LP64 -lblis-mt
# LAPACK (mandatory)
AMDLAPACK_ROOT ?= /path/to/your/lapack/installation
LAPACK = -L${AMDLAPACK_ROOT}/lib64 -llapack
# scaLAPACK (mandatory)
AMDSCALAPACK_ROOT ?= /path/to/your/scalapack/installation
SCALAPACK = -L${AMDSCALAPACK_ROOT}/lib/LP64 -lscalapack
LLIBS += $(SCALAPACK) $(LAPACK) $(BLAS)
# FFTW (mandatory)
AMDFFTW_ROOT ?= /path/to/your/fftw/installation
LLIBS += -L$(AMDFFTW_ROOT)/lib -lfftw3
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
makefile.include
