Quantum Chemistry

Author	Message
TJ Send message Joined: 26 Jun 09 Posts: 815 Credit: 1,470,385,294 RAC: 0 Level Scientific publications	Message 40563 - Posted: 20 Mar 2015, 23:30:09 UTC Hello Matt I see a new queue:Quantum Chemistry. What is that about and on which GPU's (and/or CPU's) will it run? Greetings from TJ ID: 40563 · Rating: 0 · rate: / Reply Quote

[CSF] Thomas H.V. DUPONT Send message Joined: 20 Jul 14 Posts: 732 Credit: 130,089,082 RAC: 0 Level Scientific publications	Message 40569 - Posted: 21 Mar 2015, 17:46:28 UTC - in response to Message 40563. Hello Matt I see a new queue:Quantum Chemistry. What is that about and on which GPU's (and/or CPU's) will it run? Hi, I've introduced a new application, called "Quantum Chemistry". We'll be using this to perform preparatory calculations on the small molecules that we simulate in our molecular dynamics simulations. This will help us to improve the quality of our simulations. This app is restricted to Linux hosts with a processor that's SSE4-capable. The first few WUs are failing, no need to report anything here just yet. I'm behind the curtain monitoring everything. Matt https://www.gpugrid.net/forum_thread.php?id=4041&nowrap=true#40568 [CSF] Thomas H.V. Dupont Founder of the team CRUNCHERS SANS FRONTIERES 2.0 www.crunchersansfrontieres ID: 40569 · Rating: 0 · rate: / Reply Quote