VASP 5.4.1 installation error USE iso_c_binding

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VASP 5.4.1 installation error USE iso_c_binding

Postby kapilanilgupta » Wed Dec 21, 2016 11:43 am

Dear All,

I am trying to install VASP 5.4.1 and in the processing of compilations it throws an error
===========================================================================
make[2]: Entering directory `/home01/r735lsc/vasp5.4.1/vasp.5.4.1/build/std'
mpif90 -ffree-form -ffree-line-length-none -O3 -I/data1/gf01/fftw-3.3.4/include -c mpi.f90
In file mpi.f90:231

USE iso_c_binding
1
Fatal Error: Can't open module file 'iso_c_binding.mod' for reading at (1): No such file or directory
make[2]: *** [mpi.o] Error 1
make[2]: Leaving directory `/home01/r735lsc/vasp5.4.1/vasp.5.4.1/build/std'
cp: cannot stat `vasp': No such file or directory
make[1]: *** [all] Error 1
make[1]: Leaving directory `/home01/r735lsc/vasp5.4.1/vasp.5.4.1/build/std'
make: *** [std] Error 2
===============================================

This is my makefile.include:

# Precompiler options
CPP_OPTIONS= -DMPI -DHOST=\"IFC91_ompi\" -DIFC \
-DCACHE_SIZE=4000 -Davoidalloc \
-DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective \
-DnoAugXCmeta -Duse_bse_te \
-Duse_shmem -Dtbdyn

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

FC = mpif90
FCL = mpif90

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

FFLAGS =
OFLAG = -O3
OFLAG_IN = $(OFLAG)
DEBUG = -O0

LIBDIR = /data1/gf01/libs/
BLAS = -L$(LIBDIR) -lrefblas
LAPACK = -L$(LIBDIR) -ltmglib -llapack
BLACS =
SCALAPACK = -L$(LIBDIR) -lscalapack $(BLACS)

OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o \
/data1/gf01/fftw-3.3.4/lib/libfftw3.a
INCS =-I/data1/gf01/fftw-3.3.4/include

LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS)

OBJECTS_O1 += fft3dfurth.o fftw3d.o fftmpi.o fftmpiw.o chi.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 getshmem.o

# Normally no need to change this
SRCDIR = ../../src
BINDIR = ../../bin



i will highly appreciate any help on this.

thanks i advance

KAPIL
kapilanilgupta
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Re: VASP 5.4.1 installation error USE iso_c_binding

Postby tfrankcombe » Wed Mar 08, 2017 11:42 pm

What is the Fortran compiler called by mpif90? Strictly speaking iso_c_binding is a Fortran 2003 feature, but supported by many f90/f95 compilers.
tfrankcombe
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