| 9:12:12 PM PDT - Fri, Jul 6th 2012 |
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Hi,
I am trying to kompile nwchem-6.1.1 using the method described on the nwchem website. My systems are openSUSE 12.1, openmpi, gcc. The environment variables have been set as follows:
`
export NWCHEM_TOP=/usr/local/nwchem
export NWCHEM_TARGET=LINUX64
export USE_MPI=y
export USE_MPIF=y
export USEMPIF4=y
export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -lpthread"
export MPI_LOC=/usr/lib64/mpi/gcc/openmpi/bin
export MPI_LIB=/usr/lib64/mpi/gcc/openmpi/lib64
export MPI_INCLUDE=/usr/lib64/mpi/gcc/openmpi
export NWCHEM_MODULES="all"
export USE_NOFSCHECK=TRUE
export FC=gcc-fortran
export CC=gcc
`
The make.log refers to config.log where the first "bad news"
is down about 150 lines:
`
Thread model: posix
gcc version 4.6.2 (SUSE Linux)
configure:4684: $? = 0
configure:4673: gcc -V >&5
gcc: error: unrecognized option '-V'
gcc: fatal error: no input files
compilation terminated.
configure:4684: $? = 1
configure:4673: gcc -qversion >&5
gcc: error: unrecognized option '-qversion'
gcc: fatal error: no input files
compilation terminated.
`
Is there anybody out there who has successfully kompiled nwchem with the combination of programs?
Thanks,
John Keller
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