HPC Changelog

HPC Changelog

Xalt on Owens

Date: 
Tuesday, May 21, 2019 - 6:15pm
System(s): 
Owens

We added xalt module in the default environment.

xalt tracks the software usage information. If you have any issues with, please contact oschelp@osc.edu.

ORCA 4.1.2 available

Date: 
Thursday, April 18, 2019 - 1:15pm
System(s): 
Owens
Pitzer

ORCA 4.1.2 has been installed on Owens and Pitzer clusters. Two major issues are fixed:

  • Calculations running on multiple nodes using a shared filesystem (GPFS, Lustre)
  • Construction of the DLPNO MP2 gradient when run across multiple nodes

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".

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