Hi,
I suspect this is a memory issue. GIST tends to be pretty memory
hungry since it has many grids and has to store some information for
each voxel. As a first step try reducing your grid size and/or grid
spacing and see if the error goes away.
-Dan
PS - As Hai suggested it may be worthwhile to try the GitHub version
of GIST anyway as it is a bit faster.
On Fri, Sep 23, 2016 at 2:40 AM, <peter.schmidtke.discngine.servier.com> wrote:
> Dear all,
>
> I'm using cpptraj to perform gist calculations. Nearly immediately after starting a calculation I get the following error message :
> Terminate called after throwing an instance of 'std::length_error'
> What(): vector::_M_fill_insert
> Aborted (core dumped)
>
> I would be greatful for any guidance of how to avoid that error.
>
> Cpptraj version 15 is used.
>
> Cheers.
>
> Peter
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Fri Sep 23 2016 - 05:30:05 PDT
