[gmx-users] delay at start

[Szilárd Páll]

Hi,

That doesn't sound normal. Please share some log files and inputs if you
can.

Cheers,
--
Szilárd


On Tue, Jan 22, 2019 at 5:29 PM Michael Brunsteiner <mbx0009 at yahoo.com>
wrote:

> 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
>
>
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