Skip to first unread message
John Keller
Jun 7, 2021, 2:11:25 PM6/7/21
to NWChem Forum
Following the "Example of NWChem RPM installation under CentOS 7", I can successfully run "nwchem_openmpi n2.nw" after doing "module load mpi/openmpi-x86_64".
Now, how does one request more than one processor? "nwchem_openmpi -np 4 n2.nw" returns the error message, There is an error in the input file.
John Keller
Edoardo Aprà
Jun 8, 2021, 3:31:06 PM6/8/21
to NWChem Forum
mpirun -np 2 nwchem_openmpi n2.nw
John Keller
Jun 8, 2021, 3:41:15 PM6/8/21
to nwchem...@googlegroups.com
--
You received this message because you are subscribed to a topic in the Google Groups "NWChem Forum" group.
To unsubscribe from this topic, visit https://groups.google.com/d/topic/nwchem-forum/5vOXvAtbVD0/unsubscribe.
To unsubscribe from this group and all its topics, send an email to nwchem-forum...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/nwchem-forum/32b36703-c033-493d-a09a-c2f7a8b098f2n%40googlegroups.com.
Reply all
Reply to author
Forward
0 new messages