Changes to HPC systems are listed below, optionally filtered by system.
Comsol 5.2 has been installed on Ruby. To load, use
module load comsol/52
All ACLs set within the Home Directory filesystem (/nfs/##) were lost during the 6/7 downtime. This was caused by the migration to a new server that does not support the old POSIX ACLs.
Migrating the ACLs was not possible due to both the fact POSIX ACLs are not easily translatable to NFSv4 ACLs, and none of our tools supported such a migration.
Q-Chem 4.4 has been installed on Oakley. To load, use
module load qchem/4.4
In order to allow for a more equal distribution of resources amongst our community, the limit on the maximum cores in use by a user and by a group have both been temporarily reduced from 2040 cores to 1500 cores.
The max size of a parallel job has also been reduced from 170 nodes to 125 nodes.
LAMMPS stable version 7Dec15 has been installed on Glenn, Oakley, and Ruby. Usage is via the modules lammps-7Dec15 on Glenn and lammps/7Dec15 on Oakley and Ruby. For information on installation details, such as, available packages, see the output of the respective module help command, e.g.: module help lammps/7Dec15
NAMD 2.11 has been installed on Oakley; usage is via the module namd/2.11. For information on installation details see the output of the respective module help command, e.g.: module help namd/2.11.
OpenMPI 1.10 has been installed on Oakley and Ruby; usage is via the module openmpi/1.10. For information on installation details see our website at: https://www.osc.edu/supercomputing/software/openmpi