Makefile.include.intel omp: Difference between revisions
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#LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier | #LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier | ||
# For the fftlib library ( | # For the fftlib library (recommended) | ||
#FCL = mpiifort fftlib.o -qmkl | #FCL = mpiifort fftlib.o -qmkl | ||
#CXX_FFTLIB = icpc -qopenmp -std=c++11 -DFFTLIB_USE_MKL -DFFTLIB_THREADSAFE | #CXX_FFTLIB = icpc -qopenmp -std=c++11 -DFFTLIB_USE_MKL -DFFTLIB_THREADSAFE |
Revision as of 12:31, 9 April 2022
# 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 CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) FC = mpiifort -qopenmp FCL = mpiifort 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 = icc CFLAGS_LIB = -O FFLAGS_LIB = -O1 FREE_LIB = $(FREE) OBJECTS_LIB = linpack_double.o # For the parser library CXX_PARS = icpc LLIBS = -lstdc++ ## ## Customize as of this point! Of course you may change the preceding ## part of this file as well if you like, but it should rarely be ## necessary ... ## # When compiling on the target machine itself, change this to the # relevant target when cross-compiling for another architecture FFLAGS += -xHOST # Intel MKL (FFTW, BLAS, LAPACK, and scaLAPACK) # (Note: for Intel Parallel Studio's MKL use -mkl instead of -qmkl) FCL += -qmkl MKLROOT ?= /path/to/your/mkl/installation LLIBS += -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 INCS =-I$(MKLROOT)/include/fftw # HDF5-support (optional but strongly recommended) #CPP_OPTIONS+= -DVASP_HDF5 #HDF5_ROOT ?= /path/to/your/hdf5/installation #LLIBS += -L$(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) #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