[gmx-users] A question on execusion speed

Paymon Pirzadeh ppirzade at ucalgary.ca
Tue May 25 18:38:39 CEST 2010

I have question regarding the execution time of a trajectory. I used to
run my trajectory at 265K or 275K and at the end of the log file the
speed was reported as e.g. 1.18 ns/day. Recently, I changed the
temperature to 288K and now my simulation is not finished in the
assigned wall time (240 hours). The potential and total energy and other
parameters in the log file looks fine. Is there really sth going on with
temperature or the cluster I am running the jobs on?!


More information about the gromacs.org_gmx-users mailing list