Changes to HPC systems are listed below, optionally filtered by system.
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
A cxx11 module has been added to provide C++11 support for the Intel 14 and 15 C++ compilers. See OSC's Intel compiler page for details.
Q-Chem 4.3.1 (Build number 32) has been installed on Oakley. To load, use
module load qchem/4.3.1
PAPI 5.4.1 (the newest version) has been installed on Oakley and Ruby. This tool can be used via "module load papi/5.4.1".
Also a software page is created for PAPI, where the deatils about PAPI module and usage are available.
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