Index of /examples/chemistry/nwchem

Icon  Name                    Last modified      Size  Description
[DIR] Parent Directory - [DIR] tce_cuda/ 26-Oct-2016 10:37 - [DIR] qmd/ 26-Oct-2016 10:38 -

NWCHEM

This directory includes two nwchem examples.

1. qmd: An exmaple for running MPI jobs.

2. tce_cuda: An exmaple for running GPU jobs.

Instructions for running the two examples are in the two sub directories separately.

Getting Started guide for NWCHEM:
http://www.nwchem-sw.org/index.php/Release65:Getting_Started .