Makefile.include.nec aurora: Difference between revisions
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-DUSE_ERF | -DUSE_ERF | ||
CPP = gcc -E | CPP = gcc -E -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS) | ||
FC = mpinfort | FC = mpinfort | ||
Line 28: | Line 28: | ||
FTRACE = -no-ftrace | FTRACE = -no-ftrace | ||
INLINE = -finline-functions -finline-file= | INLINE = -finline-functions -finline-file=random.f90 | ||
REPORT = - | REPORT = -fdiag-parallel=0 -fdiag-vector=0 -fdiag-inline=0 -w | ||
FFLAGS = $(FTRACE) $(INLINE) $(REPORT) | FFLAGS = $(FTRACE) $(INLINE) $(REPORT) | ||
Line 59: | Line 59: | ||
## | ## | ||
# BLAS, LAPACK, scaLAPACK, and FFTW from | # BLAS, LAPACK, scaLAPACK, and FFTW from NEC Numeric Library Collection (NEC NLC) | ||
NLC_ROOT ?= /path/to/your/nlc/installation | |||
NLC_ROOT ?= / | BLAS = -L$(NLC_ROOT)/lib -lblas_sequential | ||
LAPACK = -L$(NLC_ROOT)/lib -llapack | |||
SCALAPACK = -L$(NLC_ROOT)/lib -lscalapack | |||
FFTW = -L$(NLC_ROOT)/lib -laslfftw3_mpi -lasl_mpi_sequential -cxxlib -static -static-nec | |||
INCS = -I$(NLC_ROOT)/include | INCS = -I$(NLC_ROOT)/include | ||
LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS) $(FFTW) | |||
# For the VASP-2-Wannier90 interface (optional) | |||
#CPP_OPTIONS += -DVASP2WANNIER90 | |||
#WANNIER90_ROOT ?= /path/to/your/wannier90/installation | |||
#LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier | |||
# Uncomment the following to use ELPA | # Uncomment the following to use ELPA | ||
#CPP_OPTIONS+= -DELPA | #CPP_OPTIONS+= -DELPA | ||
#ELPADIR = <path-to-your-elpa-2021.05.001-installation> | #ELPADIR = <path-to-your-elpa-2021.05.001-installation> | ||
# | #ELPA = -L$(ELPADIR)/lib -lelpa | ||
#INCS += -I$(ELPADIR)/include/elpa-2021.05.001/modules | #INCS += -I$(ELPADIR)/include/elpa-2021.05.001/modules | ||
#LLIBS = $(ELPA) $(SCALAPACK) $(LAPACK) $(BLAS) $(FFTW) | |||
</pre> | </pre> | ||
---- | |||
[[makefile.include]] | |||
[[Category:VASP]] | |||
[[Category:Installation]] |
Latest revision as of 15:15, 6 February 2024
# 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 -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS) FC = mpinfort FCL = mpinfort FREE = -ffree-form -Wall FTRACE = -no-ftrace INLINE = -finline-functions -finline-file=random.f90 REPORT = -fdiag-parallel=0 -fdiag-vector=0 -fdiag-inline=0 -w 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$(NLC_ROOT)/lib -laslfftw3_mpi -lasl_mpi_sequential -cxxlib -static -static-nec INCS = -I$(NLC_ROOT)/include LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS) $(FFTW) # For the VASP-2-Wannier90 interface (optional) #CPP_OPTIONS += -DVASP2WANNIER90 #WANNIER90_ROOT ?= /path/to/your/wannier90/installation #LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier # 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)