Index of /examples/chemistry/nwchem

[ICO]NameLast modifiedSizeDescription

[PARENTDIR]Parent Directory   -  
[DIR]tce_cuda/ 2016-10-26 10:37 -  
[DIR]qmd/ 2016-10-26 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 .