Makefile.include.nec aurora: Difference between revisions

Revision as of 16:58, 19 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)