From NWChem
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Just Got Here
Threads 2
Posts 3
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| 1:23:00 AM PDT - Sun, Jul 28th 2013 |
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I get the following error when trying to configure/compile nwchem 6.3.
configure: Fortran compiler
configure:
checking whether we are using the GNU Fortran 77 compiler... yes
checking whether gfortran accepts -g... yes
checking for Fortran 77 compiler vendor... gnu
checking whether a simple Fortran MPI program compiles... no
configure: error: in `/media/truecrypt1/0-Richard/software/nwchem-6.3-src.2013-05-28/src/tools/build':
configure: error: could not compile simple Fortran MPI program
See `config.log' for more details
make[1]: *** [build/config.status] Error 1
make: *** [libraries] Error 1
Here is my build script/variables:
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/usr/lib/openmpi/lib/
export MPI_INCLUDE=/usr/local/include/openmpi/
export LIBRARY_PATH=$LIBRARY_PATH:/usr/local/lib/
export LIBMPI="-lmpi -lopen-rte -lopen-pal -ldl -lmpi_f77 -lpthread"
cd $NWCHEM_TOP/src
make clean
make nwchem_config
make
I am running ubuntu 12.04LTS gcc 4.8.1 gfortran 4.8.1 and openmpi 1.6.5
I am not sure how to solve this.
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Edited On 1:23:36 AM PDT - Sun, Jul 28th 2013 by Reoverstreet
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