hi, i notice that gromacs, when i start an MD simulation usuallyspends up to a few minutes using only one (out of several possible) threads.after a while it seems to have figured something out and then starts to runusing more threads. This is particularly conspicuous if also GPU is used.It is normally not a problem, but if you run a large number of very short simulations,as i do once in a while, this wastes a lot of time ... any remedy?? i should add that the delay i am talking about is NOT the one thatis caused by gromacs comparing different pme gird sizes, this comesAFTER the delay i mentioned and usually finishes much faster.
thanksMIchael -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * 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-requ...@gromacs.org.
