ATTML tesks failing on linux host

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Stony666
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Message 61857 - Posted: 1 Oct 2024, 13:59:10 UTC

Hi,

think it's the same as on Windows hosts.

Error 195

https://www.gpugrid.net/result.php?resultid=36066122

Regards Jörg
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Richard Haselgrove

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Message 61858 - Posted: 1 Oct 2024, 14:40:29 UTC - in response to Message 61857.  

For your information, Error 195 is a catch-all code for "It failed". It's necessary to dig further to find out what failed, and why it failed.

In the case of the task you linked, the answers are down at the bottom:

line 365, in _checkForErrors
ValueError: Energy is NaN. For more information, see https://github.com/openmm/openmm/wiki/Frequently-Asked-Questions#nan

NaN stands for "Not a number", so that's a scientific calculation error. That's a problem for the project, not for you - I'd guess it's not anything wrong with you computer, but the way the task was set up.
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Stony666
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Message 61861 - Posted: 2 Oct 2024, 9:14:56 UTC - in response to Message 61858.  

Hi Richard,

thx for this information!

It seems to me that TYK2 WUs have this problem from time to time as I have anotherone failed.

Regards Jörg
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