Makefile.include.nec aurora: Difference between revisions
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#LLIBS = $(ELPA) $(SCALAPACK) $(LAPACK) $(BLAS) $(FFTW) | #LLIBS = $(ELPA) $(SCALAPACK) $(LAPACK) $(BLAS) $(FFTW) | ||
</pre> | </pre> | ||
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[[The_VASP_Manual|Contents]] | |||
[[Category:VASP]] | |||
[[Category:Installation]] |
Revision as of 09:59, 20 January 2022
# Default precompiler options CPP_OPTIONS = -DHOST=\"SXAurora\" \ -D__NEC__ \ -D__NEC_TUNE__ \ -DMPI \ -DMPI_INPLACE \ -DMPI_BLOCK=8000 \ -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=32768 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf \ -DCRREXP_inline \ -DRPROMU_DGEMV \ -DUSE_ERF CPP = gcc -E -P -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS) FC = mpinfort FCL = mpinfort FREE = -ffree-form -Wall FTRACE = -no-ftrace INLINE = -finline-functions -finline-file=xclib.f90:xclib_grad.f90:random.f90 REPORT = -report-all -fdiag-vector=3 -fdiag-inline=2 -g -traceback=verbose FFLAGS = $(FTRACE) $(INLINE) $(REPORT) OFLAG = -O3 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 = ncc CFLAGS_LIB = -O FFLAGS_LIB = -O1 FREE_LIB = $(FREE) OBJECTS_LIB = linpack_double.o # For the parser library CXX_PARS = nc++ ## ## Customize as of this point! Of course you may change the preceding ## part of this file as well if you like, but it should rarely be ## necessary ... ## # BLAS, LAPACK, scaLAPACK, and FFTW from NEC Numeric Library Collection (NEC NLC) NLC_ROOT ?= /path/to/your/nlc/installation BLAS = -L$(NLC_ROOT)/lib -lblas_sequential LAPACK = -L$(NLC_ROOT)/lib -llapack SCALAPACK = -L$(NLC_ROOT)/lib -lscalapack FFTW = -L$(NLC_ROOT)/lib -laslfftw3_mpi -lasl_mpi_sequential -lnc++ -static -static-nec INCS = -I$(NLC_ROOT)/include LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS) $(FFTW) # Uncomment the following to use ELPA #CPP_OPTIONS+= -DELPA #ELPADIR = <path-to-your-elpa-2021.05.001-installation> #ELPA = -L$(ELPADIR)/lib -lelpa #INCS += -I$(ELPADIR)/include/elpa-2021.05.001/modules #LLIBS = $(ELPA) $(SCALAPACK) $(LAPACK) $(BLAS) $(FFTW)