| 3:05:04 PM PDT - Fri, Aug 29th 2014 |
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Hello all,
Other people in my group have done this sort of compilation before, as a lot of our scripts utilize MPI to call nwchem. One did it on the snapshot only a little over a month ago. If nwchem is compiled with MPI then this causes a crash in the program when it is MPI-called. I keep receiving this error when compiling:
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 `/home/cmjohns6/nwchem/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
now since the build utilizes mpicc the C MPI program compiles just fine, but for some reason even if I use the below exports:
export NWCHEM_TOP="~/nwchem"
export NWCHEM_TARGET="LINUX64"
export ARMCI_NETWORK="SOCKETS"
export LARGE_FILES="TRUE"
export USE_NOFSCHECK="TRUE"
export NWCHEM_MODULES="all"
export CC="mpicc"
export FC="mpif90"
export F77="mpif77"
export LIB_MPI=" "
export USE_MPI='n'
export USE_MPIF=
export USE_MPIF4=
Which includes specifying F77 and F90 to be the mpi compilers, the ga-5-3 configure INSISTS on using gfortran instead, which I think is what is leading to this error? Is there a simple modification I can make to the configure file in order to bypass this? Since this is kind of a minor error in the compiler check process I expect it can't be too bad. I'm just not seeing it.
Thanks,
-Cole
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