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

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 17 Dec 2014 14:27:41 -0500

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.

The example has ifsc=0, so (at least in one sense) it is not
really "TI/softcore". In any event, in the current code, combining
ifsc=0 and logdvdl=1 won't work, because the arrays used by the logdvdl option
are never allocated.

Does anyone know the background here? Is logdvdl supposed to be used even
when ifsc=0? If so, the log_dvdl() routine should probably not be in the
softcore module, and (certainly) its allocations should not be sc_allocate().

For now, I've put a check in mdread2() to disallow this combination.
Moving the discussion over to the amber-developers list.

....dac


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Received on Wed Dec 17 2014 - 11:30:04 PST
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