[AMBER] To all K20 - K20x "positive" Amber users

From: Marek Maly <marek.maly.ujep.cz>
Date: Sat, 01 Jun 2013 22:22:21 +0200

Dear lucky K20/K20x user. Several Amber users recently encountered
some issues with Titan GPUs during Amber calculations, please see the
actual discussion thread:

"experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking
in Linux ?"

Here some problems were reported also with finishing/reproducibility of
Amber benchmark
tests (the whole suite is available for download here:
http://ambermd.org/gpus/benchmarks.htm ).

We would kindly appreciate if you could do at least 100K steps long above
mentioned
benchmark tests (those PME are enough) twice (using the same random seed )
and report
here your results i.e. if all the tests were successfully finished and if
they were 100% reproducible
(e.g. obtaining exactly the same final energies).

   Thanks a lot in advance !

          M.

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Received on Sat Jun 01 2013 - 14:00:02 PDT
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