[gmx-users] Req for computer config for windows to run gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Tue Aug 29 10:46:30 CEST 2006

raja wrote:
> Dear David,
> Thanks, but Linux is not possible because of other users not aware of
> that OS. Well, can you make details for some best hardware
> configuration.

Split your budget, buy some low-end machines for non-linux-aware users 
on which you do not plan to run calculations, and the rest on linux 
machines that can be used for some users and also for calculations.

I can scarcely imagine the full extent of the headaches that would be 
caused by setting up an MPI environment for gromacs on a set of Windows 
boxes also used as desktops. Users would cause machine reboots that 
break calculations, change configurations to break things... This is 
also true of Linux boxes used similarly, but it is not as horrible.


More information about the gromacs.org_gmx-users mailing list