Re: [AMBER] another segfault with sander14 and TI/softcore

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Wed, 17 Dec 2014 14:46:19 +0000

On Wed, 17 Dec 2014 08:41:32 -0500
David A Case <case.biomaps.rutgers.edu> wrote:

> On Wed, Dec 10, 2014, Hannes Loeffler wrote:
> >
> > I have attached files for a sander14 run with TI/softcore. I get a
> > segfault when I try to run this. The problem is with logdvdl = 1.
> > When I delete this in the input files the jobs runs fine.
>
> Just a quick note: we haven't forgotten about this, and thanks for
> the report. As soon as final exams are over, I'll have time to
> investigate; of course, if others get there first, that is fine.

Many thanks. Have you ever considered a public bug tracker?

I have attached another, unrelated (no segfault) example where the
problem is small nscm values like 100 or 10. What is odd is that, in
the way V0 and V1 are set up in the attached archive, the small values
will lead to distorted structures but structures seem fine when
nscm=1000. When I swap V0 and V1 I get sensible structures also with
the smaller values for nscm.

Cheers,
Hannes.

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Received on Wed Dec 17 2014 - 07:30:03 PST
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