Nwchem Versions Save

The NWChem 7.2.2 release is now available.

Documentation available at https://nwchemgit.github.io/

Please use the Github Issues feature to file bugs, feedback, etc ... at https://github.com/nwchemgit/nwchem/issues

Release notes at https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.2.2.md

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code) https://github.com/nwchemgit/nwchem/releases/download/v7.2.2-release/nwchem-7.2.2-release.revision-74936fb9-srconly.2023-11-03.tar.bz2

QA tests, examples and the rest of the release files can be found in https://github.com/nwchemgit/nwchem/releases/download/v7.2.2-release/nwchem-7.2.2-release.revision-74936fb9-nonsrconly.2023-11-03.tar.bz2

If you would rather download all the release files at once, please download the 160 MB file https://github.com/nwchemgit/nwchem/releases/download/v7.2.2-release/nwchem-7.2.2-release.revision-74936fb9-src.2023-11-03.tar.bz2

The NWChem 7.2.1 release is now available.

Documentation available at https://nwchemgit.github.io/

Please use the Github Issues feature to file bugs, feedback, etc ... at https://github.com/nwchemgit/nwchem/issues

Release notes at https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.2.1.md

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.2.1-release/nwchem-7.2.1-release.revision-487f8b94-srconly.2023-10-04.tar.bz2

QA tests, examples and the rest of the release files can be found in https://github.com/nwchemgit/nwchem/releases/download/v7.2.1-release/nwchem-7.2.1-release.revision-487f8b94-nonsrconly.2023-10-04.tar.bz2

If you would rather download all the release files at once, please download the 160 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.2.1-release/nwchem-7.2.1-release.revision-487f8b94-src.2023-10-04.tar.bz2

The NWChem 7.2.0 release is now available.

Documentation available at https://nwchemgit.github.io

Please use the Github Issues feature to file bugs, feedback, etc ... at https://github.com/nwchemgit/nwchem/issues

Release notes at https://raw.githubusercontent.com/nwchemgit/nwchem/master/release.notes.7.2.0

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code) https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem-7.2.0-release.revision-d0d141fd-srconly.2023-03-10.tar.bz2

QA tests, examples and the rest of the release files can be found in https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem-7.2.0-release.revision-d0d141fd-nonsrconly.2023-03-10.tar.bz2

If you would rather download all the release files at once, please download the 222 MB file https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem-7.2.0-release.revision-d0d141fd-src.2023-03-10.tar.bz2

Installation instructions for the precompiled packages on Ubuntu Jammy 22.04

sudo apt -y install  python3-dev gfortran  mpi-default-bin mpi-default-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem-data_7.2.0-2_all.ubuntu_jammy.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem_7.2.0-2_amd64.ubuntu_jammy.deb
sudo dpkg -i nwchem*7.2.0*jammy*.deb

To run, please use the following command (you might want to change the number of parallel process supplied with the -np argument)

mpirun.openmpi -np 2 nwchem "input file name"

Second beta version for the upcoming 7.2.0 release

Full Changelog: https://github.com/nwchemgit/nwchem/compare/master-oct22_2018...v7.2.0-beta2

The NWChem 7.0.2 release is now available.
This is a maintenance release that contains fixes to bugs uncovered in the NWChem 7.0.0 release.

Documentation available at https://nwchemgit.github.io

Please use the Github Issues feature to file bugs, feedback, etc ... at https://github.com/nwchemgit/nwchem/issues

Release notes at https://raw.githubusercontent.com/nwchemgit/nwchem/hotfix/release-7-0-0/release.notes.7.0.2

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code) https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-srconly.2020-10-12.tar.bz2

QA tests, examples and the rest of the release files can be found in https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-nonsrconly.2020-10-12.tar.bz2

If you would rather download all the release files at once, please download the 138 MB file https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-src.2020-10-12.tar.bz2

Installation instructions for the precompiled packages on Ubuntu Bionic 18.04

sudo apt -y install  python3-dev gfortran  mpi-default-bin mpi-default-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-data_7.0.2-1_all.ubuntu_bionic.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem_7.0.2-1_amd64.ubuntu_bionic.deb
sudo dpkg -i nwchem*7.0.2*bionic*.deb

Installation instructions for the precompiled packages on Ubuntu Focal 20.04

sudo apt -y install  python3-dev gfortran  mpi-default-bin mpi-default-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-data_7.0.2-1_all.ubuntu_focal.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem_7.0.2-1_amd64.ubuntu_focal.deb
sudo dpkg -i nwchem*7.0.2*focal*.deb

Installation instructions for the precompiled packages on Debian Buster 10

sudo apt -y install  python3-dev gfortran  mpi-default-bin mpi-default-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-data_7.0.2-1_all.debian_buster.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem_7.0.2-1_amd64.debian_buster.deb
sudo dpkg -i nwchem*7.0.2*buster*.deb

The NWChem 7.0.1 release is now available.
This is a maintenance release that contains fixes to bugs uncovered in the NWChem 7.0.0 release.

Documentation available at https://nwchemgit.github.io

Please use the Github Issues feature to file bugs, feedback, etc ... at https://github.com/nwchemgit/nwchem/issues

Release notes at https://raw.githubusercontent.com/nwchemgit/nwchem/hotfix/release-7-0-0/release.notes.7.0.1

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code) https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-srconly.2020-10-08.tar.bz2

QA tests, examples and the rest of the release files can be found in https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-nonsrconly.2020-10-08.tar.bz2

If you would rather download all the release files at once, please download the 140 MB file https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-src.2020-10-08.tar.bz2

The NWChem 7.0.0 release is now available.

Documentation available at https://github.com/nwchemgit/nwchem/wiki

Please use the Github Issues feature to file bugs, feedback, etc ... at https://github.com/nwchemgit/nwchem/issues

Release notes at https://raw.githubusercontent.com/nwchemgit/nwchem/release-7-0-0/release.notes.7.0.0

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code) https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-7.0.0-release.revision-2c9a1c7c-srconly.2020-02-26.tar.bz2

QA tests, examples and the rest of the release files can be found in https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-7.0.0-release.revision-2c9a1c7c-nonsrconly.2020-02-26.tar.bz2

If you would rather download all the release files at once, please download the 138 MB file https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-7.0.0-release.revision-2c9a1c7c-src.2020-02-26.tar.bz2

Installation instructions for the precompiled packages on Ubuntu Xenial

sudo apt -y install curl  python3-dev gfortran  mpi-default-bin mpi-default-dev libopenblas-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-data_7.0.0-3_all.ubuntu_xenial.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem_7.0.0-3_amd64.ubuntu_xenial.deb

sudo dpkg -i nwchem-data_7.0.0-3*_xenial.deb nwchem_7.0.0-3*_xenial.deb

Installation instructions for the precompiled packages on Ubuntu Bionic

sudo apt -y install curl  python3-dev gfortran  mpi-default-bin mpi-default-dev libopenblas-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-data_7.0.0-3_all.ubuntu_bionic.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem_7.0.0-3_amd64.ubuntu_bionic.deb

sudo dpkg -i nwchem-data_7.0.0-3*_bionic.deb nwchem_7.0.0-3*_bionic.deb

Second beta version for the upcoming 7.0.0 release

First beta version for the upcoming 7.0.0 release

The last two files labeled as "Source code" are to be used only by experience software developers

We recommend to download the file

oct22_2018 master image Not a release