Download the NWChem 6.6 Release

The NWChem 6.6 release is now available for download (as of October 20 2015). Please use the Forum to provide feedback.

The 6.6 documentation is available at http://www.nwchem-sw.org/index.php/Release66:NWChem_Documentation

Changelog available at http://www.nwchem-sw.org/index.php/Release66:Changelog

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)

NWChem 6.6 Source Code

Source code is available here in tar.gz format (size 139 MB) [MD5] or as tar.bz2 format (size 94 MB) [MD5].

If you have trouble download the files listed above, you might want to try the files listed in the Alternate downloads page

Compilation instructions at http://www.nwchem-sw.org/index.php/Compiling_NWChem

Patches for the 27746 revision of NWChem 6.6

The following patches have been released after the 2015-10-20 date of the 27746 revision

Patch name	Forum topic
Tddft_mxvec20.patch.gz
Tools_lib64.patch.gz	OpenSuse installation
Config_libs66.patch.gz‎	Centos 7.1 installation
Cosmo_meminit.patch.gz‎	Cosmo Initialization

How to apply a patch?

cd $NWCHEM_TOP
wget http://www.nwchem-sw.org/images/Tddft_mxvec20.patch.gz
gzip -d Tddft_mxvec20.patch.gz
patch -p0 < Tddft_mxvec20.patch

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).
Development snapshot October 22, 2014 Nwchem-dev.revision26353-src.2014-10-22 (size 120 MB).
Development snapshot December 10, 2014 Nwchem-dev.revision26492-src.2014-12-10 (size 120 MB).
Development snapshot January 19, 2015 Nwchem-dev.revision26704-src.2015-01-19 (size 120 MB).
Development snapshot February 24, 2015 Nwchem-dev.revision26871-src.2015-02-24 (size 140 MB).
Development snapshot March 30, 2015 Nwchem-dev.revision26971-src.2015-04-01 (size 140 MB).
Development snapshot May 04, 2015 Nwchem-dev.revision27039-src.2015-05-04 (size 140 MB).
Development snapshot May 26, 2015 Nwchem-dev.revision27151-src.2015-05-26 (size 160 MB).
Development snapshot July 10, 2015 Nwchem-dev.revision27248-src.2015-07-10 (size 160 MB).