[gmx-users] Option to run mdrun without GPUs

Hardy, Adam ah259 at hw.ac.uk
Wed Nov 26 15:18:50 CET 2014

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?


Adam Hardy
PhD Student
School of Engineering and Physical Sciences
Heriot-Watt University
Edinburgh EH14 4AS, UK

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