Computational Cluster Programs

How to Run GAMESS on ATS-Hosted Clusters

You can use any text editor to make the appropriate input files for GAMESS.

How to Run GAMESS in Batch

To Run GAMESS from the UCLA Grid Portal

GAMESS is not available from the UCLA Grid Portal.

To Run GAMESS from the Cluster Head Node using the Queue Scripts

The easiest way to run GAMESS in batch from the head node is to use the queue scripts. See Running a Batch Job on an ATS-Hosted Cluster for a discussion of the queue scripts and how they are used.

The following queue scripts are available for GAMESS:

gamess.q

Asks you whether you want to run in parallel or serial.

gamess.q.parallel

Runs GAMESS in parallel.

gamess.q.serial

Runs GAMESS in serial.

To Run GAMESS from the Cluster Head Node Using SGE Comands

See Running a Batch Job on an ATS-Hosted Cluster for guidelines to follow to create the required SGE command file. Alternatively, you could create an SGE command file with one of the queue scripts listed above. After saving the command file, you can modify it if necessary. See Commonly-Used SGE Commands for a list of the most commonly used SGE commands.

How to Run GAMESS Interactively

GAMESS is not available interactively.