[gmx-users] Option to run mdrun without GPUs

Mark Abraham mark.j.abraham at gmail.com
Wed Nov 26 15:40:22 CET 2014


Using mdrun -nb cpu is *technically* documented in mdrun -h, but finding
that is not so easy. Of course, it does what you want.


On Wed, Nov 26, 2014 at 3:18 PM, Hardy, Adam <ah259 at hw.ac.uk> wrote:

> Dear Gromacs Users,
> I have a version of Gromacs 5 installed with GPU support. With the setup
> of my system I would find it useful to occasaionaly run simulations without
> either of the GPUs, is there an easy way to do this (such as a flag to pass
> to mdrun) as I can't find one? Otherwise do I just need to compile a
> seperate executable without GPU support?
> Thanks,
> Adam Hardy
> PhD Student
> School of Engineering and Physical Sciences
> Heriot-Watt University
> Edinburgh EH14 4AS, UK
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