Dear developers,
I am trying to compile NWchem 6.3 using the gcc compilers (4.6.4) and the openmpi.
install script
!bin/bash
export TCGRSH=/usr/bin/ssh
export NWCHEM_TOP=/gpfs/CLUSTERUSERS/neilparker2/soft/update/Nwchem
export CC=gcc
export FC=gfortran
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
export MRCC_THEORY=TRUE
export LIB_DEFINES="-DDFLT_TOT_MEM=16777216"
export USE_MPIF=y
export USE_MPI=y
export USE_MPIF4=y
export MPI_LOC=/gpfs/CLUSTERUSERS/neilparker2/tools
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil"
export BLASOPT="-L/gpfs/CLUSTERUSERS/neilparker2/tools/lib -lf77blas -latlas"
export ARMCI_NETWORK=OPENIB
# MPI-SPAWN MPI-MT
export IB_INCLUDE=/usr/include/infiniband
export IB_LIB=/usr/lib64
export IB_LIB_NAME="-libverbs -libumad -lpthread -lrt"
export MSG_COMMS=MPI
make realclean
cd $NWCHEM_TOP/src
make nwchem_config
make >& make.log
error
config/makefile.h:1747: Superfluous text after the directive `else'
config/makefile.h:1753: *** in conditional expression can only be one `else'. stop
makefile.h:1740-1753
ifeq ($(_FC),gfortran)
ifdef USE_I4FLAGS
#does not exists
# FOPTIONS += -fdefault-integer-4
else
FOPTIONS += -fdefault-integer-8
endif
else ifeq ($(_FC),crayftn)
ifdef USE_I4FLAGS
FOPTIONS += -s integer32
else
FOPTIONS += -s integer64
endif
else
ifdef USE_I4FLAGS
FOPTIONS += -i4
else
FOPTIONS += -i8
endif
endif
how can I possibly fix this bug?
Thank you very much!
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