[gmx-users] restarting run on GPU
kapoorpratibha7 at gmail.com
Fri Mar 28 11:28:48 CET 2014
I have generated my md_new.tpr using:
grompp -f new.mdp -c npt.gro -t npt.cpt -p topol.top -o md_new.tpr
where my new.mdp file has everything same except cutoff-scheme as verlet
I am getting very bad performance even worse than only CPU simulations.
My GPU is well tested before and was giving good performance. Is there
something wrong in the procedure I have followed?
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