# Default precompiler options
CPP_OPTIONS = -DHOST=\"LinuxIFC\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-Dvasp6 \
-Dtbdyn \
-Dfock_dblbuf \
-D_OPENMP \
-DINTELMKL
CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)
FC = mpiifort -fc=ifx -fiopenmp
FCL = mpiifort -fc=ifx
FREE = -free -names lowercase
FFLAGS = -assume byterecl -w
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = icx
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)
OBJECTS_LIB = linpack_double.o
# For the parser library
CXX_PARS = icpx
LLIBS = -lstdc++
LIB += oneapi
LLIB += -Loneapi -lZeInterface
# OMP offloading
CPP_OPTIONS+= -DOMP_OFFLOAD
# this enables offloading plus AoT compiling of target device code
FFLAGS += -fopenmp-targets=spir64_gen -Xs "-device pvc"
# Workarounds for problems with fpp and ifx
FFLAGS += -switch no-use-host-usm-for-implicit-reduction-map
IFX_BUILD_DATE = $(shell ifx --version | grep ifx | awk '{print $$4}')
CPP_OPTIONS+= -D__INTEL_COMPILER_BUILD_DATE=$(IFX_BUILD_DATE)
##
## 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 ?= -xHOST
FFLAGS += $(VASP_TARGET_CPU)
# Intel MKL (FFTW, BLAS, LAPACK, and scaLAPACK)
FCL += -qmkl -fiopenmp -fopenmp-targets=spir64_gen -Xs "-device pvc" -fopenmp-device-code-split=per_kernel -fopenmp-max-parallel-link-jobs=8 -lze_loader
MKLROOT ?= /path/to/your/mkl/installation
LLIBS += -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_sycl
INCS =-I$(MKLROOT)/include -I$(MKLROOT)/include/fftw
# 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$(WANNIER90_ROOT)/lib -lwannier
# For the fftlib library (hardly any benefit in combination with MKL's FFTs)
#FCL = mpiifort fftlib.o -qmkl
#CXX_FFTLIB = icpc -qopenmp -std=c++11 -DFFTLIB_USE_MKL -DFFTLIB_THREADSAFE
#INCS_FFTLIB = -I./include -I$(MKLROOT)/include/fftw
#LIBS += fftlib
# For machine learning library VASPml (experimental)
#CPP_OPTIONS += -Dlibvaspml
#CXX_ML = mpiicpc -cxx=icpx -qopenmp
#CXXFLAGS_ML = -O3 -std=c++17 -Wall
#INCLUDE_ML =
## This may be required for the C++17 filesystem library if the underlying
## system compiler is older than GNU 9.1. For newer versions this can be removed.
#LLIBS += -lstdc++fs
makefile.include
