AW: NAMD-2.12 CUDA2 and PMECUDA problems

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Aug 30 2017 - 02:13:41 CDT

Yes, it is the nightly build. It's weird that I get such a backtrace during the CUDA initialization already and nobody seems to have encountered the same. I also get similar errors for GBIS with 2.11, where CUDA acceleration has been changed for implicit solvent.

If I disable useCUDA2 some of the systems run for a while, but most of them crash later with e.g. segfault or by instability. Sometimes also lot's of margin warnings occur inbetween. There's must still be a bug somewhere in the new CUDA kernels.

> -----Urspr√ľngliche Nachricht-----
> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> Auftrag von Nicholas M. Glykos
> Gesendet: Dienstag, 29. August 2017 19:55
> An: norman.geist_at_uni-greifswald.de
> Cc: namd-l_at_ks.uiuc.edu; Nicholas Glykos <glykos_at_mbg.duth.gr>
> Betreff: Re: namd-l: NAMD-2.12 CUDA2 and PMECUDA problems
>
>
> > for some unknown reason we are not able here at our site to benefit
> > from the extensive speedup namd-2.12-cuda offeres cause of random
> > stability issues and other errors.
>
> Is this a nightly built ? This is important because after 2.12's
> release there was an update for the cuda kernels. See 2017/03/30 at
> http://www.ks.uiuc.edu/Research/namd/cvs2html/chronological.html
>
>
>
> --
>
> Nicholas M. Glykos, Department of Molecular Biology
> and Genetics, Democritus University of Thrace, University Campus,
> Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
> Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/glykos/
>
>
>
> --
>
> Nicholas M. Glykos, Department of Molecular Biology
> and Genetics, Democritus University of Thrace, University Campus,
> Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
> Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/glykos/

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