HPC Changelog

HPC Changelog

Q-Chem 4.4.1 now available on Pitzer

Date: 
Tuesday, April 2, 2019 - 4:15pm
Supercomputer: 

An old version of Q-Chem has been installed on Pitzer by request.  Usage is via the module qchem/4.4.1-openmp.  For details on other installations, see the output of the module spider command:  "module spider qchem".

ORCA 4.1.1 available

Date: 
Friday, February 1, 2019 - 12:30pm
Supercomputer: 

ORCA 4.1.1 has been installed on Owens and Pitzer clusters.  For information on available executables and installation details see the software page for ORCA.

CP2K 6.1 available on Pitzer

Date: 
Monday, January 28, 2019 - 11:00am
Supercomputer: 

CP2K 6.1 has been installed on Pitzer cluster.  For information on available executables and installation details see the software page for CP2K.

ORCA 4.0.1.2 and 4.1.0 available

Date: 
Thursday, January 24, 2019 - 1:00pm
Supercomputer: 

ORCA 4.0.1.2 and 4.1.0 have been installed on Owens and Pitzer clusters.  For information on available executables and installation details see the software page for ORCA.

NBO 6.0 now available on Owens

Date: 
Friday, November 2, 2018 - 12:00pm
Supercomputer: 

NBO 6.0 has been installed on the Owens cluster; usage is via the module nbo/6.0. For information on available executables and installation details see the software page for NBO.

Rosetta 3.10 now available

Date: 
Thursday, November 1, 2018 - 12:15pm
Supercomputer: 

 

Rosetta 3.10 has been installed on the Owens and Pitzer clusters; usage is via the module rosetta/3.10. For information on available executables and installation details see the software page for Rosetta.

Desmond 2018.2 available on Owens

Date: 
Monday, October 29, 2018 - 12:30pm
Supercomputer: 

Desmond  2018.2 has been installed on the Owens clusters; usage is via the module desmond/2018.2. For information on available executables and installation details see the software page for Desmond.

Pages