Changes to HPC systems are listed below, optionally filtered by system.
HPC Changelog
HPC Changelog
Gromacs 2020.5 is available
Gromacs 2020.5 has been installed on Owens and Pitzer. Usage is via the module gromacs/2020.5. For help loading an installation, use the command: "module spider gromacs/2020.5". For information on available executables and installation details use the command: "module help gromacs/2020.5".
OpenMolcas 19.11 available on Owens
Date:
Monday, December 28, 2020 - 11:15am
System(s):
OpenMolcas 19.11 is available on Owens cluster; usage via module load openmolcas/19.11.
StarCCM 15.06.008 available on Owens
Date:
Tuesday, December 22, 2020 - 4:30pm
System(s):
StarCCM 15.06.008 is available on Owens
module load starccm/15.06.008 # for double precision
module load starccm/15.06.008-mixed # for mixed precision
LAMMPS 29Oct20 is available
LAMMPS stable version 29Oct20 has been installed with MVAPICH2, OpenMPI, and IntelMPI on Owens and Pitzer. These are GPU enabled installations. Usage is via the module lammps/29Oct20. For installation details, such as, available packages and example batch scripts, use command: "module help lammps/29Oct20". For help loading an installation, use command: "module spider lammps/29Oct20".
Amber 20 is updated
Amber version 20 has been updated and installed with Intel and GNU compilers and MVAPICH2 on Owens and Pitzer. These include Amber and AmberTools. Usage is via the module amber/20. For installation details, such as, available packages and example batch scripts, use command: "module help amber/20". For help loading an installation, use command: "module spider amber/20".
