2025 HPC Changelog

Q-Chem 4.4.1 now available on Pitzer

Date: 
Tuesday, April 2, 2019 - 4:15pm
System(s): 
Pitzer

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
System(s): 
Owens
Pitzer

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
System(s): 
Pitzer

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
System(s): 
Owens
Pitzer

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.

Rosetta 3.10 now available

Date: 
Thursday, November 1, 2018 - 12:15pm
System(s): 
Owens
Pitzer

 

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.

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