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Revision as of 10:18, 23 September 2014
Contents |
Download NWChem 6.5 Release
NWChem 6.5 has been released. An overview of the new features and bug fixes in this version can be found here.
Please cite the following reference when publishing results obtained with NWChem:
M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong, "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010)
Source Code
Source code is available here. (size 125 MB)
Compiling instructions can be found here or in the INSTALL file included in the tar-ball.
Patches for the 26243 revision of NWChem 6.5
The following patches have been released after the 2014-09-10 date of the 26243 revision
http://www.nwchem-sw.org/images/Util_md_sockets.patch.gz
http://www.nwchem-sw.org/images/Hbar.patch.gz
http://www.nwchem-sw.org/images/Tcenxtask.patch.gz
http://www.nwchem-sw.org/images/Hnd_giaxyz_noinline.patch.gz
Binaries
Binaries will be added here when available.
Download Development Tree
This version has the latest additions but has not received full QA testing. It has passed a nightly build and QA test cases. This version will be made available monthly as a tar-file as source code only:
- Development snapshot June 17, 2013 Nwchem-src-2013-06-17 (size 107 MB).
- Development snapshot July 19, 2013 Nwchem-src-2013-07-19 (size 107 MB).
- Development snapshot September 10, 2013 Nwchem-src-2013-09-10 (size 107 MB).
- Development snapshot October 16, 2013 Nwchem-src-2013-10-16 (size 107 MB).
- Development snapshot November 12, 2013 Nwchem-src-2013-11-12 (size 107 MB).
- Development snapshot December 18, 2013 Nwchem-src-2013-12-18 (size 107 MB).
- Development snapshot January 28, 2014 Nwchem-src-2014-01-28 (size 107 MB).
- Development snapshot May 03, 2014 Nwchem-6.3.revision25564-src.2014-05-03 (size 107 MB).
- Development snapshot June 09, 2014 Nwchem-dev.revision25716-src.2014-06-09 (size 107 MB).
- Development snapshot July 08, 2014 Nwchem-dev.revision25890-src.2014-07-18 (size 107 MB).
- Development snapshot August 25, 2014 Nwchem-dev.revision26027-src.2014-08-28 (size 114 MB).
Older NWChem releases
NWChem 6.3
- User documentation is available here.
- An overview of the changes in this version can be found here.
- Source code is available here. (size 107 MB)