compiling nwchem with mpich2


Click here for full thread
Forum Vet
need to extract MPI definitions from
Your MPI_LIB and LIBMPI definitions are not setup correctily.
Some standard definitions are described at

https://nwchemgit.github.io/index.php/Compiling_NWChem#Setting_up_the_proper_environment_vari...

If this is not of help, please run the command

/opt/mpich2/gnu/bin/mpif90 -show

and use the output to define MPI_LIB and LIBMPI.

Please let me know if you need more assistance