Pitzer

CHANGE OF DEFAULT MATLAB VERSION

OSC is changing the default version of MATLAB on all clusters from R2018a to R2018b effective Friday, April 26th. Several bugs exist in R2018a that have been addressed in R2018b. This change may cause some MATLAB jobs to fail. To review release notes for R2018b, please visit this link: https://bit.ly/2GvGjeM To continue using R2018a in your jobs, you need to load the module "matlab/r2018a". If you need any assistance at all, please contact OSCHelp@osc.edu

SYSTEM DOWNTIME MAY 21, 2019

A downtime for all HPC systems is scheduled from 7 a.m. to 5 p.m., Tuesday, May 21, 2019. The downtime will affect the Pitzer, Ruby and Owens Clusters, web portals and HPC file servers. Login services, including my.osc.edu, access to storage and the HyperWorks license server hosted by OSC will not be available during this time. In preparation for the downtime, the batch scheduler will begin holding jobs that cannot be completed before 7 a.m., May 21, 2019. Jobs that are not started will be held until after the downtime and then started once the system is returned to production status.

Run your MD simulations on Anton

The Pittsburgh Supercomputing Center (PSC, www.psc.edu) is soliciting proposals for computer time on Anton 2, a special-purpose supercomputer for molecular dynamics (MD) simulation designed by D. E. Shaw Research (DESRES). Anton enables scientists to perform MD simulations of biomolecular systems nearly two orders of magnitude faster than the previous state of the art. To maximize the benefit of Anton to the scientific community, proposed projects should focus exclusively on questions that will be greatly advanced by the unique capabilities of Anton.

ORCA 4.1.2 available

Date: 
Thursday, April 18, 2019 - 1:15pm
Supercomputer: 

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

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