[gmx-users] GROMACS on CYGWIN
darth.vasya at gmail.com
Sat Jun 12 00:03:21 CEST 2010
Also, use the 'nice' command to run gmx at high priority, and switch off CPU
frequency scaling. For me, cygwin performance is pretty much the same as
that on linux, which is to be expected since most of the code isn't
dependent on system calls. Apparently, the only difference you should be
able to see is in disk I/O, but you don't want to I/O too frequently anyway.
On Fri, Jun 11, 2010 at 3:18 AM, Mark Abraham <mark.abraham at anu.edu.au>wrote:
> ----- Original Message -----
> From: Nasim Biglari <nasimb88 at yahoo.co.uk>
> Date: Friday, June 11, 2010 2:51
> Subject: [gmx-users] GROMACS on CYGWIN
> To: gmx-users at gromacs.org
> > Dear all,
> > I was wondering whether GROMACS on CYGWIN is less capable than GROMACS
> run on LINUX?
> > i.e. concerning its speed and its ability to simulate larger
> macromolecules. I assume that it is faster, but is it very much different?
> GROMACS will run fine, and do approximately the same under either OS on
> comparable hardware with the same version of gcc, however for production
> simulation to be maximally effective you need to arrange for the simulation
> process not to be interrupted much. This is easier to arrange on Linux than
> Windows. You certainly don't want to be concurrently using either kind of
> machine as a desktop, and also you'd prefer not to be logged on to either
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