GAMESS-US 20190930-R2-foss-2019b

The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package.

Accessing GAMESS-US 20190930-R2-foss-2019b

To load the module for GAMESS-US 20190930-R2-foss-2019b please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):

module load GAMESS-US/20190930-R2-foss-2019b

BEAR Apps Version

2019b

Architectures

EL8-cascadelake — EL8-haswell — Ubuntu20.04-haswell

The listed architectures consist of two part: OS-CPU.

  • BlueBEAR: The OS used on BlueBEAR is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.
  • BEAR Cloud and CaStLeS VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.

Known Issues

To complete the installation the running of the standard tests that are supplied with GAMESS-US was disabled. The failing tests are numbers 8, 22, 36, and 42 of the tests that are available in ${EBROOTGAMESSMINUS}/tests/standard once the GAMESS-US module has been loaded.

More Information

For more information visit the GAMESS-US website.

Dependencies

This version of GAMESS-US has a direct dependency on: foss/2019b

Last modified on 17th February 2020