[gmx-users] GPU file
mark.j.abraham at gmail.com
Tue Jan 24 11:40:59 CET 2017
As the md.log file reports, energy groups aren't implemented on GPUs. You
mdrun -s topol.tpr -rerun traj.trr -nb cpu
to get them for the frames you saved.
On Tue, Jan 24, 2017 at 10:54 AM RAHUL SURESH <drrahulsuresh at gmail.com>
> Why is that ENERGY is 0 when simulation is from GPU.
> and how to get the energy file by running in in cpu
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users