# Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxIFC\" \ -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 = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) FC = mpiifx -qopenmp FCL = mpiifx FREE = -free -names lowercase FFLAGS = -assume byterecl -w 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 = icx CFLAGS_LIB = -O FFLAGS_LIB = -O1 FREE_LIB = $(FREE) OBJECTS_LIB = linpack_double.o getshmem.o # For the parser library CXX_PARS = icpx 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 ?= -x@oneapiArch@ FFLAGS += $(VASP_TARGET_CPU) # Intel MKL (FFTW, BLAS, LAPACK, and scaLAPACK) # (Note: for Intel Parallel Studio's MKL use -mkl instead of -qmkl) FCL += -qmkl MKLROOT ?= /path/to/your/mkl/installation LLIBS += -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 INCS =-I$(MKLROOT)/include/fftw # HDF5-support (optional but strongly recommended) CPP_OPTIONS+= -DVASP_HDF5 LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran INCS += -I$(HDF5_ROOT)/include # For the VASP-2-Wannier90 interface (optional) CPP_OPTIONS += -DVASP2WANNIER90 LLIBS += -L$(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