Summary of queues and applications available in the CCR WebMO interface.
This page contains information on the computational chemistry applications available through the WebMO portal. Please note that the WebMO portal runs on several of CCR's clusters and the list of applications running on each cluster vary from cluster to cluster. Thus each queue listed below is specific to to a given cluster. You can easily choose the desired queue through the WebMO portal interface.
- Queues specify the computer resources. Applications and versions vary with queues.
- route-u2 is a queue for the U2 cluster. This queue is available to all CCR users
- GAMESS 2007
- GAUSSIAN 94 (32 bit)
- Mopac 7
- NWChem 5.0
- Q-Chem 3.0
- Tinker 4.2
- thewho-em64t and thewho-amd64 are queues for Professor Autschbach's research cluster.
- GAMESS 2007
- GAUSSIAN 03
- Mopac 7
- NWChem 5.0
- Q-Chem 3.0
- Tinker 4.2
- thewho-i32 is a queue for Professor Autschbach's research cluster. This queue runs jobs on 32 bit machines.
- GAMESS 2007
- GAUSSIAN 03
- NWChem 5.0
- route-gobot2 is a queue for Professor Coppen's research cluster.
- GAMESS 2007
- GAUSSIAN 03
- Mopac 7
- NWChem 5.0
- Q-Chem 3.0
- Tinker 4.2