Error message in compiling nwchem with mpi
Clicked A Few Times
5:28:44 PM PDT - Tue, Sep 23rd 2014
Hello all, here are my exported variables.

export NWCHEM_TOP="/home/cmjohns6/nwchem-mpi"
export NWCHEM_TARGET="LINUX64"
export LARGE_FILES="TRUE"
export ARMCI_NETWORK="SOCKETS"
export USE_NOFSCHECK="TRUE"
export NWCHEM_MODULES="all"
export NWCHEM_MPIF_WRAP="mpif90"
export NWCHEM_MPIC_WRAP="mpicc"
export NWCHEM_MPICXX_WRAP="mpicxx"
export CC="mpicc"
export FC="mpif90"
export F77="mpif77"
export MPI_LOC="/opt/openmpi"
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export LIB_MPI="-pthread -lmpi_f77 -lmpi_f90 -lmpi -lopen-rte -lopen-pal -ldl -Wl,--export-dynamic -lnsl -lutil -lm -ldl"
export USE_MPI='t'
export IPCCSD="y"
export EACCSD="y"

But when I try to compile I get the following error:
/home/cmjohns6/nwchem-mpi/lib/LINUX64/libnwcutil.a(util_wallsec.o): In function `util_wallsec_':
/home/cmjohns6/nwchem-mpi/src/util/util_wallsec.F:18: undefined reference to `mpi_wtime_'
/home/cmjohns6/nwchem-mpi/src/util/util_wallsec.F:20: undefined reference to `mpi_wtime_'
/home/cmjohns6/nwchem-mpi/src/util/util_wallsec.F:24: undefined reference to `mpi_wtime_'
collect2: ld returned 1 exit status
make: *** [all] Error 1

What exactly is the problem here?
Thanks

Forum Vet
5:56:00 PM PDT - Tue, Sep 23rd 2014
What is the output the following commands on your system

/opt/openmpi/bin/mpif90 -show

PATH=/opt/openmpi/bin:/usr/bin:/bin $NWCHEM_TOP/contrib/distro-tools/getmpidefs_nwchem

Clicked A Few Times
10:56:11 AM PDT - Wed, Sep 24th 2014
Quote:Edoapra Sep 23rd 5:56 pm
What is the output the following commands on your system

/opt/openmpi/bin/mpif90 -show

PATH=/opt/openmpi/bin:/usr/bin:/bin $NWCHEM_TOP/contrib/distro-tools/getmpidefs_nwchem


Thank you for responding so quickly,
this is the result:

gfortran -I/opt/openmpi/include -pthread -I/opt/openmpi/lib -L/opt/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl -Wl,--export-dynamic -lnsl -lutil -lm -ldl

There also does not seem to be an mpidefs in my contrib folder...resulting in the following error:
PATH=/opt/openmpi/bin:/usr/bin:/bin $NWCHEM_TOP/contrib/distro-tools/getmpidefs_nwchem
-bash: /home/cmjohns6/nwchem-mpi/contrib/distro-tools/getmpidefs_nwchem: No such file or directory

These are the only contents:
cd contrib/distro-tools/
build_nwchem build_nwchem_bin_distro build_nwchem_modules build_nwchem_src_distro gen_default.nwchemrc MacOSX.txt README

Do I need to redownload the snapshot? Why is mpidefs missing?

Thanks,
Cole

Clicked A Few Times
10:56:15 AM PDT - Wed, Sep 24th 2014
Quote:Edoapra Sep 23rd 5:56 pm
What is the output the following commands on your system

/opt/openmpi/bin/mpif90 -show

PATH=/opt/openmpi/bin:/usr/bin:/bin $NWCHEM_TOP/contrib/distro-tools/getmpidefs_nwchem


Thank you for responding so quickly,
this is the result:

gfortran -I/opt/openmpi/include -pthread -I/opt/openmpi/lib -L/opt/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl -Wl,--export-dynamic -lnsl -lutil -lm -ldl

There also does not seem to be an mpidefs in my contrib folder...resulting in the following error:
PATH=/opt/openmpi/bin:/usr/bin:/bin $NWCHEM_TOP/contrib/distro-tools/getmpidefs_nwchem
-bash: /home/cmjohns6/nwchem-mpi/contrib/distro-tools/getmpidefs_nwchem: No such file or directory

These are the only contents:
cd contrib/distro-tools/
build_nwchem build_nwchem_bin_distro build_nwchem_modules build_nwchem_src_distro gen_default.nwchemrc MacOSX.txt README

Do I need to redownload the snapshot? Why is mpidefs missing?

Thanks,
Cole

Forum Vet
11:27:14 AM PDT - Wed, Sep 24th 2014
Cole
NWChem 6.5 is the current supported release. I strongly encourage you to download 6.5.
I cannot really give you much help with snapshot tarballs

http://nwchemgit.github.io/index.php/Download#Source_Code


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