Changes to HPC systems are listed below, optionally filtered by system.
HPC Changelog
HPC Changelog
Gaussian g16a03 available on Pitzer
Gaussian g16a03 version has been installed on Pitzer.
NBO 6.0 now available on Owens
NBO 6.0 has been installed on the Owens cluster; usage is via the module nbo/6.0. For information on available executables and installation details see the software page for NBO.
Desmond 2018.2 available on Owens
Desmond 2018.2 has been installed on the Owens clusters; usage is via the module desmond/2018.2. For information on available executables and installation details see the software page for Desmond.
COMSOL 5.4 available on Owens
COMSOL 5.4 has been installed on Owens; usage is via the module comsol/5.4.
Quantum Espresso 6.3 available on Owens
Quantum Espresso 6.3 has been installed on Owens; usage is via the module espresso/6.3. For information on available executables and installation details see the software page for Quantum Espresso or the output of the respective module help command, e.g.: module help espresso/6.3. Note that packages WEST were not installed because they are not available with 6.3.