[gmx-users] delay at start

[Michael Brunsteiner]

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