Makefile.include.gnu omp: Difference between revisions

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FC          = mpif90 -fopenmp
FC          = mpif90 -fopenmp
FCL        = mpif90 -fopenmp -lstdc++
FCL        = mpif90 -fopenmp


FREE        = -ffree-form -ffree-line-length-none
FREE        = -ffree-form -ffree-line-length-none
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FFLAGS      = -w -ffpe-summary=invalid,zero,overflow
FFLAGS      = -w -ffpe-summary=invalid,zero,overflow


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      = gcc  
CC_LIB      = gcc
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    = g++  
CXX_PARS    = g++
LLIBS      = -lstdc++


##
##
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#LLIBS          += -L$(WANNIER90_ROOT)/lib -lwannier
#LLIBS          += -L$(WANNIER90_ROOT)/lib -lwannier


# For the fftlib library (experimental)
# For the fftlib library (recommended)
#CPP_OPTIONS+= -Dsysv
#CPP_OPTIONS+= -Dsysv
#FCL        += fftlib.o
#FCL        += fftlib.o
Line 90: Line 91:
#LLIBS      += -ldl
#LLIBS      += -ldl
</pre>
</pre>
----
[[makefile.include]]
[[Category:VASP]]
[[Category:Installation]]

Latest revision as of 15:02, 6 February 2024

# Default precompiler options
CPP_OPTIONS = -DHOST=\"LinuxGNU\" \
              -DMPI -DMPI_BLOCK=8000 -Duse_collective \
              -DscaLAPACK \
              -DCACHE_SIZE=4000 \
              -Davoidalloc \
              -Dvasp6 \
              -Duse_bse_te \
              -Dtbdyn \
              -Dfock_dblbuf \
              -D_OPENMP

CPP         = gcc -E -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)

FC          = mpif90 -fopenmp
FCL         = mpif90 -fopenmp

FREE        = -ffree-form -ffree-line-length-none

FFLAGS      = -w -ffpe-summary=invalid,zero,overflow

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      = gcc
CFLAGS_LIB  = -O
FFLAGS_LIB  = -O1
FREE_LIB    = $(FREE)

OBJECTS_LIB = linpack_double.o

# For the parser library
CXX_PARS    = g++
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     += -march=native

# For gcc-10 and higher (comment out for older versions)
FFLAGS     += -fallow-argument-mismatch

# BLAS and LAPACK (mandatory)
OPENBLAS_ROOT ?= /path/to/your/openblas/installation
BLASPACK    = -L$(OPENBLAS_ROOT)/lib -lopenblas

# scaLAPACK (mandatory)
SCALAPACK_ROOT ?= /path/to/your/scalapack/installation
SCALAPACK   = -L$(SCALAPACK_ROOT)/lib -lscalapack

LLIBS      += $(SCALAPACK) $(BLASPACK)

# FFTW (mandatory)
FFTW_ROOT  ?= /path/to/your/fftw/installation
LLIBS      += -L$(FFTW_ROOT)/lib -lfftw3 -lfftw3_omp
INCS       += -I$(FFTW_ROOT)/include

# 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

# For the fftlib library (recommended)
#CPP_OPTIONS+= -Dsysv
#FCL        += fftlib.o
#CXX_FFTLIB  = g++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE
#INCS_FFTLIB = -I./include -I$(FFTW_ROOT)/include
#LIBS       += fftlib
#LLIBS      += -ldl

makefile.include