Changes to HPC systems are listed below, optionally filtered by system.
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.
The installation of ncl/ncarg 6.3.0 has been corrected on Oakley
Q-Chem 4.3.1 (Build number 32) has been installed on Oakley. To load, use
module load qchem/4.3.1
Gromacs 5.1 has been installed on Oakley; usage is via the module gromacs/5.1. For information on available executables and installation details see the software page for Gromacs or the output of the respective module help command, e.g.: module help gromacs/5.1.
The OSCMatlabPCT, the package used for configuring and submitting parallel MATLAB jobs, was updated on Sep. 17, 2015. This is because after Downtime two config files cannot be recognized (format error) by clusters.
The cuda/4.1.28 module was removed from Oakley during the software update. It has been restored because it is required for amber/11.