P6988 (R0, C71, G124)

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Duboisi
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Joined: Mon Jun 20, 2011 1:07 pm

P6988 (R0, C71, G124)

Post by Duboisi »

Hi,
What could be the problem of "step xxxxxxxx: Water molecule starting at atom xxxxx can not be settled. Check for bad contacts and/or reduce the timestep if appropriate." (*update: completed normally with Core Status=64(100)*).

The message appear at Linux console but not the log. Here is the screen shot:

Image
Jesse_V
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Re: P6988 (R0, C71, G124)

Post by Jesse_V »

did a Google search for the error message and found this: viewtopic.php?f=19&t=15748&start=0
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Duboisi
Posts: 13
Joined: Mon Jun 20, 2011 1:07 pm

Re: P6988 (R0, C71, G124)

Post by Duboisi »

Most posts with the same message ended with error. But in my case it completed with Core Status=64(100) and I got points from it. Does it means that WU has recovered from the error? Or I have submitted a corrupted WU?
bruce
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Re: P6988 (R0, C71, G124)

Post by bruce »

I don't know. It certainly looks like it managed to recover.

I'll forward this question to the researcher and see if we can get a real answer.

I think it's interesting that all of the step numbers are even. Maybe it was resolved in the intervening steps.
Duboisi
Posts: 13
Joined: Mon Jun 20, 2011 1:07 pm

Re: P6988 (R0, C71, G124)

Post by Duboisi »

Thanks Bruce.
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