[gmx-users] Option to run mdrun without GPUs

[Hardy, Adam]

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


----- 
We invite research leaders and ambitious early career researchers to 
join us in leading and driving research in key inter-disciplinary themes. 
Please see www.hw.ac.uk/researchleaders for further information and how
to apply.

Heriot-Watt University is a Scottish charity
registered under charity number SC000278.