Is it just prod31.cpout that causes the problem? What happens if you
remove a different one, like prod1.cpout?
This will help determine whether it's the amount of data or something
specific about prod31.cpout. It may be that prod31.cpout has some bad
values (like a protonation state that doesn't exist) and cphstats is trying
to read off the end of an array.
HTH,
Jason
On Wed, Apr 26, 2023 at 3:16 AM Dulal Mondal via AMBER <amber.ambermd.org>
wrote:
> Dear Users,
>
> I am trung to run the following command.
>
> "cphstats -i amber.cpin prod1.cpout prod2.cpout prod3.cpout prod4.cpout
> prod5.cpout prod6.cpout prod7.cpout prod8.cpout prod9.cpout prod10.cpout
> prod11.cpout prod12.cpout prod13.cpout prod14.cpout prod15.cpout
> prod16.cpout prod17.cpout prod18.cpout prod19.cpout prod20.cpout
> prod21.cpout prod22.cpout prod23.cpout prod24.cpout prod25.cpout
> prod26.cpout prod27.cpout prod28.cpout prod29.cpout prod30.cpout
> prod31.cpout -o pH7.8_500_calcpka.dat --population
> pH7.8_500_populations.dat"
>
> But it show the following errer message.
>
> "Segmentation fault (core dumped)"
>
> But when I remove prod31.cpout It run properly.
>
> With regards,
>
> Dulal Mondal
>
>
> --
> *With regards,*
> *Dulal Mondal,*
> *Research Scholar,*
> *Department of Chemistry,*
> *IIT Kharagpur, Kharagpur 721302.*
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
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Received on Fri Apr 28 2023 - 06:30:02 PDT
