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, BEARCloud VMs, and CaStLeS VMs):
module load GAMESS-US/20190930-R2-foss-2019b
BEAR Apps Version
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 and CaStLeS Cloud 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