Changes to HPC systems are listed below, optionally filtered by system.
HPC Changelog
VirtualGL 2.5.2 now available on Ruby
VurtualGL 2.5.2 is installed on Ruby. Use with module virtualgl/2.5.2
GAMESS 18 AUG 2016 (R1) now available on Owens
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
May 23 Downtime Changes
Quantum ESPRESSO 6.1 now available on Owens
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
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
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
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
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:
Caffe 1.0.0-rc3 now available on Ruby
module load caffe
Amber 16 now available
Amber 16 has been installed on the OSC clusters; usage is via the module amber/16. For information on available executables and installation details see the software page for Amber or the output of the module help command, e.g.: module help amber/16. On August 15, 2016 Amber 16 will be made the default amber module.