Hi,
This is a bug which I fixed in 4.0.7 (but somehow it is missing from the
revision list).
Berk
> Date: Tue, 12 Jan 2010 12:11:23 +0100
> From: [email protected]
> To: [email protected]
> Subject: [gmx-users] Triggering generic kernel causes LINCS warnings
>
> Hello,
>
> I'm trying to simulate a water box with protein and drug. Having set up
> the simulation, starting mdrun causes no problems on its own. However,
> after setting the GMX_NB_GENERIC environment variable and restarting the
> simulation, it crashes at step 20 with too many LINCS warnings. Disabeling
> the environment variable makes mdrun run normal again.
>
> Where is this different behavior coming from and is this solvable?
>
> Using Gromacs 4.0.5. Attached the screen output and the log file.
>
> Thanks in advance,
>
>
> Pieter van 't Hof
> Graduate student Utrecht University
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