Please include full details, such as:
- complete input file, unless it is included in the output (this happens if
you set "echo" in your input file, which you should always do as the first
line)
- complete output file, with both stdout and stderr
- how you compiled NWChem
-- all environment variabl
That typically occurs if nwchem is linked with MPICH and you are using
OpenMPI mpirun.
A first, i recommend you double check your environment, and run
ldd nwchem
the very same Open MPI is used by everyone
Cheers,
Gilles
On Wednesday, September 14, 2016, abhisek Mondal
wrote:
> Hi,
> I'm on a s
