Makefile.include.nec aurora: Difference between revisions
No edit summary |
No edit summary |
||
| (One intermediate revision by one other user not shown) | |||
| Line 20: | Line 20: | ||
-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) $(REPORT) | ||
| Line 65: | Line 65: | ||
SCALAPACK = -L$(NLC_ROOT)/lib -lscalapack | SCALAPACK = -L$(NLC_ROOT)/lib -lscalapack | ||
FFTW = -L$(NLC_ROOT)/lib -laslfftw3_mpi -lasl_mpi_sequential - | 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) | 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 | ||
| Line 78: | Line 83: | ||
</pre> | </pre> | ||
---- | ---- | ||
[[ | [[makefile.include]] | ||
[[Category:VASP]] | [[Category:VASP]] | ||
[[Category:Installation]] | [[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)