AMBER Archive (2002)

Subject: Re: problem with amber7 mpi

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you may "Increase MAX_ISTACK in sizes.h and recompile", since it's too
small for your system. yan

On Thu, 1 Aug 2002, Bimo Ario Tejo wrote:

> Dear Amber users,
>
> I'm using amber7 mpi and got a problem when doing minimisation. The last line of output file is:
>
> | PLEVEL = 1: runmd parallelization, no EKCMR
> Exceeding lastist in get_istack
> lastist = 1000000
> top_stk= 975760
> isize = 146364
> request= 1122124
> Increase MAX_ISTACK in sizes.h and recompile
>
> The job is keep running but the output file doesn't change at all even until 30 hrs. What's wrong? This is my input file:
>
> # Minimization of lpm63oct with explicit solvent
> &cntrl
> imin=1, ntpr=50, ntb=1, igb=0, maxcyc=500, ncyc=100,
> &end
> END
> END
>
> Anybody can help me to solve this problem?
>
> Thank you,
> Bimo
> ITB-Stuttgart
>
>
>
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