Q-Chem 4.4 available on Oakley
Q-Chem 4.4 has been installed on Oakley. To load, use
module load qchem/4.4
Q-Chem 4.4 has been installed on Oakley. To load, use
module load qchem/4.4
Elmer 8.1 has been installed on Oakley and Ruby.
Usage: module load gnu; module load mkl; module load elmer
Gaussian g09e01 has been installed on Oakley and Ruby.
Usage: module load gaussian/g09e01
During the 2/9/16 downtime a change was made to the functionality of qsub affecting all users.
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
CUDA SDK 7.5.18 has been installed on Ruby.
Usage: module load cuda/7.5.18
Abaqus 6.14 refresh 5 has been installed on Oakley.
Usage: module load abaqus/6.14-refresh5
Quantum espresso 5.2.1 has been installed on Oakley.
Currently, it supports serial and MPI parallel runs.