Makefile.include.intel: Difference between revisions
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FC = mpiifort | FC = mpiifort | ||
FCL = mpiifort | FCL = mpiifort | ||
FREE = -free -names lowercase | FREE = -free -names lowercase | ||
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FFLAGS = -assume byterecl -w | FFLAGS = -assume byterecl -w | ||
OFLAG = -O2 | OFLAG = -O2 | ||
OFLAG_IN = $(OFLAG) | OFLAG_IN = $(OFLAG) | ||
DEBUG = -O0 | DEBUG = -O0 | ||
OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o | OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o | ||
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CPP_LIB = $(CPP) | CPP_LIB = $(CPP) | ||
FC_LIB = $(FC) | FC_LIB = $(FC) | ||
CC_LIB = icc | CC_LIB = icc | ||
CFLAGS_LIB = -O | CFLAGS_LIB = -O | ||
FFLAGS_LIB = -O1 | FFLAGS_LIB = -O1 | ||
FREE_LIB = $(FREE) | FREE_LIB = $(FREE) | ||
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# For the parser library | # For the parser library | ||
CXX_PARS = icpc | CXX_PARS = icpc | ||
LLIBS = -lstdc++ | |||
## | ## | ||
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FCL += -qmkl=sequential | FCL += -qmkl=sequential | ||
MKLROOT ?= /path/to/your/mkl/installation | MKLROOT ?= /path/to/your/mkl/installation | ||
LLIBS | LLIBS += -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 | ||
INCS =-I$(MKLROOT)/include/fftw | INCS =-I$(MKLROOT)/include/fftw | ||
Revision as of 17:10, 20 January 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 CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) FC = mpiifort 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 = $(FREE) OBJECTS_LIB = linpack_double.o # For the parser library CXX_PARS = icpc LLIBS = -lstdc++ ## ## Customize as of this point! Of course you may change the preceding ## part of this file as well if you like, but it should rarely be ## necessary ... ## # When compiling on the target machine itself, change this to the # relevant target when cross-compiling for another architecture FFLAGS += -xHOST # Intel MKL (FFTW, BLAS, LAPACK, and scaLAPACK) # (Note: for Intel Parallel Studio's MKL use -mkl instead of -qmkl) FCL += -qmkl=sequential MKLROOT ?= /path/to/your/mkl/installation LLIBS += -L$(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