Makefile.include.gnu ompi aocl omp

# 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         = gcc -E -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)

FC          = mpif90 -fopenmp
FCL         = mpif90 -fopenmp

FREE        = -ffree-form -ffree-line-length-none

FFLAGS      = -w -ffpe-summary=none

OFLAG       = -O2
OFLAG_IN    = $(OFLAG)
DEBUG       = -O0

# For what used to be vasp.5.lib
CPP_LIB     = $(CPP)
FC_LIB      = $(FC)
CC_LIB      = gcc
CFLAGS_LIB  = -O
FFLAGS_LIB  = -O1
FREE_LIB    = $(FREE)

OBJECTS_LIB = linpack_double.o

# For the parser library
CXX_PARS    = g++
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)

# For gcc-10 and higher (comment out for older versions)
FFLAGS     += -fallow-argument-mismatch

# 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  = g++ -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 -pedantic-errors -Wall -Wextra
#INCLUDE_ML  = -I${AMDBLIS_ROOT}/include/blis -I${AMDLIBFLAME_ROOT}/include

---

makefile.include