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NWChem: Open Source High-Performance Computational Chemistry
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contrib convert TCE cuda codes to hip codes which can run on AMD GPUs Feb 16, 2019
examples HvD: In the CVS era the $Id: $ tags in the source code files would Oct 29, 2010
travis force user to set LAPACK_LIB when either BLASOPT or BLAS_LIB are defi… Mar 13, 2019
web remove DEC OS/F support Aug 10, 2018
.gitignore debris created in nwchem compilations Nov 19, 2017
.travis.yml added MPI3 tce Dec 12, 2018
INSTALL remove DEC OS/F support Aug 10, 2018
LICENSE.TXT fixed link for ECL license Jul 20, 2018 fix typo Feb 11, 2019
release.notes.3.2.1 log cleanup Nov 19, 2017
release.notes.3.3 Added 3.3.1 release notes. Sep 29, 1999
release.notes.4.0 Tjerk's additions Jan 16, 2001
release.notes.4.1 Updated release notes: MD, Prepare, Analysis, QM/MM Mar 5, 2002
release.notes.4.5 fixed typo May 6, 2003
release.notes.5.0 add 5.0 release note Nov 16, 2006
release.notes.6.0 HvD: Added the 6.0 release notes to the development verion in analogy Apr 19, 2011
release.notes.6.8 NWXC module excluded from NWCHEM_MODULES=all [ci skip] Jan 12, 2018
release.notes.6.8.1 ifort 17 needed for compiling offloading code on KNC [ci skip] Feb 7, 2018

Build Travis-CI Status License Github Downloads All Releases Github Downloads Release 6.8 Github Downloads Release 6.8.1

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NWChem: Open Source High-Performance Computational Chemistry

NWChem logo

NWChem is actively developed by a consortium of developers and maintained by the Environmental Molecular Sciences Laboratory (EMSL), a US DOE Office of Science User Facility located at the Pacific Northwest National Laboratory (PNNL) in Washington State

Scalable computational chemistry tools

Source download instructions

  • Master

git clone

  • 6.8.1 Release

git clone -b hotfix/release-6-8 nwchem-6.8.1

Release 6.8.1

Release files available at the page
Tar files for download:
Release notes available at


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