HPC Changelog

HPC Changelog

GAMESS 18 AUG 2016 (R1) now available on Owens

Date: 
Friday, May 26, 2017 - 1:30pm

GAMESS version 18 AUG 2016 (R1) has been installed on Owens.  Usage is via the module gamess/18Aug2016R1.  For information on installation details see the output of the module help command, e.g.:  module help gamess/18Aug2016R1

Quantum ESPRESSO 6.1 now available on Owens

Date: 
Thursday, May 4, 2017 - 5:00pm

Quantum ESPRESSO version 6.1 has been installed on Owens.  Usage is via the module espresso/6.1.  For information on installation details see the output of the module help command, e.g.:  module help espresso/6.1

Updated totalview and allinea tools default versions

Date: 
Tuesday, April 18, 2017 - 3:15pm

We updated the default versions of the totalview and allinea modules:

Totalview: 

        Oakley and Ruby: 8.14.1-8  to  2017.0.12

        Owens:  2016.04.08   to   2017.0.12

Allinea tools:

        Oakley and Ruby:  6.0.1  to  7.0

        Owens:  6.0.6  to  7.0

LAMMPS 31Mar17 now available on Owens

Date: 
Friday, March 31, 2017 - 2:30pm

LAMMPS stable version 31Mar17 has been installed on Owens.  This is a GPU enabled installation.  Usage is via the module lammps/31Mar17.  For information on installation details, such as, available packages, see the output of the module help command, e.g.:  module help lammps/31Mar17

NAMD 2.12 now available on Owens

Date: 
Friday, February 10, 2017 - 3:15pm

NAMD 2.12 has been installed on Owens; usage is via the module namd/2.12. For information on available executables and installation details see the software page for NAMD or the output of the module help command, e.g.: module help namd/2.12.  On February 22, 2016, NAMD 2.12 will become available on all clusters, and 2.12 will become the default version.

LAMMPS 14May16 too-many-threads known issue fixed

Date: 
Wednesday, November 30, 2016 - 3:45pm

The LAMMPS 14May16 known issue wherein parallel lammps spawned too many threads has been fixed on all clusters.  No user action is required; if a user had applied the OMP_NUM_THREADS workaround then it may be removed, but it will not cause probems if left in place. The corrected executables were made the defaults for module lammps/14may16 at these times:

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