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Compiling instructions can be [[Compiling_NWChem|found here]] or in the INSTALL file included in the tar-ball.
Compiling instructions can be [[Compiling_NWChem|found here]] or in the INSTALL file included in the tar-ball.
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==Patches==
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The following patches have been released after the 2014-09-10 date of the 26243 revision
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http://www.nwchem-sw.org/images/Util_md_sockets.patch.gz
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http://www.nwchem-sw.org/images/Hbar.patch.gz
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http://www.nwchem-sw.org/images/Tcenxtask.patch.gz
==Binaries==
==Binaries==

Revision as of 11:06, 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

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

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:

Older NWChem releases

NWChem 6.3

  • User documentation is available here.
  • An overview of the changes in this version can be found here.

NWChem 6.1.1

  • User documentation is available here.
  • An overview of the changes in this version can be found here.

NWChem 6.1

  • User documentation is available here.
  • An overview of the changes in this version can be found here.

NWChem 6.0

  • User documentation is available here.
  • Source code is available here. (size 94 MB)
  • Available binaries:

NWChem Linux (Redhat 5.5, gcc/gfortran 4.1.2) binary, tar-ed and gzip-ed compressed (size 63 MB, cksum 3373950667)
NWChem Linux (Redhat 5.5, gcc/gfortran 4.1.2) binary, tar-ed and bzip2-ed compressed (size 48 MB, cksum 3631352275)
NWChem Mac Intel binary (10.5,10.6), gcc/gfortran compiled, tar-ed and compressed
NWChem Mac Intel binary (10.5,10.6), gcc/gfortran compiled, tar-ed and bzip2-ed compressed
NWChem Mac Intel binary (10.4), gcc/gfortran compiled, tar-ed and compressed
NWChem Mac Intel binary (10.4), gcc/gfortran compiled, tar-ed and bzip2-ed compressed