Re: [gmx-users] gpu cluster explanation

Hi Richard, Thank you for the help and sorry for the delay in my reply. I tried some test run changing some parameters (e.g. removing PME) and I was able to reach 20ns/day, so I think that 9-11 ns/day it's the max that I can obtain for my setting. thank your again for your help. cheers, Fra On

Re: [gmx-users] gpu cluster explanation

On 12/07/13 13:26, Francesco wrote: Hi all, I'm working with a 200K atoms system (protein + explicit water) and after a while using a cpu cluster I had to switch to a gpu cluster. I read both Acceleration and parallelization and Gromacs-gpu documentation pages (http://www.gromacs.org/Documentat

[gmx-users] gpu cluster explanation

Hi all, I'm working with a 200K atoms system (protein + explicit water) and after a while using a cpu cluster I had to switch to a gpu cluster. I read both Acceleration and parallelization and Gromacs-gpu documentation pages (http://www.gromacs.org/Documentation/Acceleration_and_parallelization and