Re: [AMBER] help!!! I got a error when I used mmpbsa calculate the binding freeenergy

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Wed, 6 Nov 2013 13:51:00 +0000

On Wed, 6 Nov 2013 08:41:31 -0500
Jason Swails <jason.swails.gmail.com> wrote:

> On Wed, 2013-11-06 at 21:18 +0800, David Chen wrote:
> > I got error message on terminal:
> > mmpbsa_py_energy: malloc.c:2451: sYSMALLOc: Assertion `(old_top ==
> > (((mbinptr) (((char *) &((av)->bins[((1) - 1) * 2])) -
> > __builtin_offsetof (struct malloc_chunk, fd)))) && old_size == 0)
> > || ((unsigned long) (old_size) >= (unsigned
> > long)((((__builtin_offsetof (struct malloc_chunk, fd_nextsize))+((2
> > * (sizeof(size_t))) - 1)) & ~((2 * (sizeof(size_t))) - 1))) &&
> > ((old_top)->size & 0x1) && ((unsigned long)old_end & pagemask) ==
> > 0)' failed.
>
> Well that's a strange error message. I'm not sure why malloc would
> raise an error like this in a GB calculation. GB is not very
> memory-intensive, so it's highly unlikely that your machine is running
> out of RAM unless you are using a queueing system (torque/PBS, slurm,
> etc.) which has a low memory limit on the job. If this is the case,
> you can try to request more memory and see if that helps.

I believe that's a hint to memory corruption in whatever code caused it.

Cheers,
Hannes.
-- 
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Received on Wed Nov 06 2013 - 06:00:05 PST
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