error compiling nwchem 6.3 May 2014 version released


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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!

Forum Vet
Avelon
Could you please post these additional details
1) version of make used, i.e. the output of the command

make -v

2) What is the output of

uname -m

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1) GNU Make 3.80
2) x86_64

Forum Vet
One more question.
Are you trying to install NWChem on a Cray system?

Forum Vet
It seems that you are hitting a bug with version 3.80 of GNU make (I have just reproduced the problem myself)
You can either
1) upgrade GNU make to 3.81
or
2) delete (or comment out) the lines from $NWCHEM_TOP/src/config/makefile.h that are causing this problem to surface.
The lines from $NWCHEM_TOP/src/config/makefile.h that you want to delete or comment out are lines
1747 to 1752

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Quote:Edoapra May 13th 10:13 am
One more question.
Are you trying to install NWChem on a Cray system?

no. Linux cluster (SUSe server)

Forum Vet
Quote:Avelon May 13th 9:40 am
Quote:Edoapra May 13th 10:13 am
One more question.
Are you trying to install NWChem on a Cray system?

no. Linux cluster (SUSe server)



This is good to know.
Then, the suggestions I gave you in the earlier posting should work

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This bug solved by update GNU make to 4.0


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