Changes to HPC systems are listed below, optionally filtered by system.
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.
matlab version r2015a and r2015b have been installed on oakley and ruby.
The default modules of some pacakges were updated on Oakley. Users who have built their own software may be required to rebuild their software or explicitly load the compiler and MPI modules used in building the software. For more details, see Updates to Oakley Application Softwar
The default modules of some packages were updated on Ruby. Users who have built their own software may be required to rebuild their software or explicitly load the compiler and MPI modules used in building the software. For more details
The mpi4py and mpich2 packages have been removed from python (anaconda) on Oakley and Ruby.
Blast version 2.2.31+ is now installed on Oakley.
SuperLU_MT 3.0 and SuperLU_DIST 4.1 have been installed on Oakley. They are available for use with the Intel 15, gnu 5, and PGI 15 compilers.
Sprng is now installed on Oakley for the new compilers pgi/15.4.0 intel/15.0.3 gnu/5.1.0