Hello all,

I have submitted some simulations of a small peptide to the short queue. This is a special type of simulation, and it is also the first time I am running them, so there may be errors with them. Please let us know what you see. There should be pass through quickly, however, so hopefully they don't cause too many problems.

Nate

And indeed there was a problem, so I have stopped them and I will resend them corrected. Sorry about that. For some reason checks before submission did not flag the problem. Very frustrating.

I managed to complete two of these units:

8035775 127986 24 Mar 2014 | 14:22:15 UTC 24 Mar 2014 | 16:02:19 UTC Completed and validated 3,310.85 1,287.02 3,562.50 Short runs (2-3 hours on fastest card) v8.15 (cuda55)



8059891 127986 24 Mar 2014 | 20:39:12 UTC 24 Mar 2014 | 22:21:32 UTC Completed and validated 3,119.91 1,216.04 3,562.50 Short runs (2-3 hours on fastest card) v8.20 (cuda60)


http://www.gpugrid.net/workunit.php?wuid=5361283


http://www.gpugrid.net/workunit.php?wuid=5361038


Are these the units with the problem that were stopped or are they the corrected ones?

Those were the corrected ones. There is currently a CMYB_equil3 batch as well, that also seems to be going without problems. These simulations are part of a much bigger batch that will come soon.

Glad to hear this simulation is running successful and I look forward to the "big" batch - hopefully some promising results will come from it.

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Thanks - Steve