# Precompiler options #CPP_OPTIONS= -DMPI -DHOST=\"LinuxIFC\" -DIFC CPP_OPTIONS= -DMPI -DHOST=\"IFC91_ompi\" -DIFC \ -DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective \ -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf \ -D_OPENMP \ -Dtbdyn -DVASP2WANNIER90 #-DnoAugXCmeta -Duse_bse_te \ #-Duse_shmem #-Dtbdyn -DVASP2WANNIER90 CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) FC = mpif90 -qopenmp FCL = mpif90 -mkl FREE = -free -names lowercase FFLAGS = -assume byterecl OFLAG = -O2 OFLAG_IN = $(OFLAG) DEBUG = -O0 MKL_PATH = $(MKLROOT)/lib/ PY_PATH = #/opt/intel/intelpython2/lib/ BLAS = LAPACK = BLACS = -L$(MKLROOT) -lmkl_blacs_openmpi_lp64 #udo BLACS = -lmkl_blacs_intelmpi_lp64 SCALAPACK = -L$(MKLROOT) -lmkl_scalapack_lp64 $(BLACS) #SCALAPACK = $(MKL_PATH)/libscalapack.a -L$(MKLROOT) $(BLACS) OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o \ $(MKL_PATH)/libfftw3xf_intel.a #$(MKLROOT)/interfaces/fftw3xf/libfftw3xf_intel.a #INCS =-I$(MKLROOT)/include/fftw INCS =-I/opt/intel/oneapi/mkl/2024.0//include/fftw/ LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS) /opt/apps/ompi/wannier/v3.1/lib/libwannier.a #For the interface to Wannier90 (optional) #To include the interface to Wannier90 (-DVASP2WANNIER90 or -DVASP2WANNIER90v2), one needs to specify: #LLIBS += /your-wannier90-directory/libwannier.a OBJECTS_O1 += fft3dfurth.o 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 -lz FFLAGS_LIB = -O1 FREE_LIB = $(FREE) OBJECTS_LIB= linpack_double.o getshmem.o # For the parser library CXX_PARS = icpx LLIBS += -lstdc++ # #LIBS += parser #LLIBS += -Lparser -lparser -lstdc++ # Normally no need to change this SRCDIR = ../../src BINDIR = ../../bin