Re: [AMBER] Segmentation fault

From: Jagdeesh C <jagc666.gmail.com>
Date: Tue, 6 Jul 2010 08:40:11 +0530

Thank you Professor Case. I have followed what you have mentioned.

1) I ran the attached file and here is the output I got

./Run.dhfr.min_prcg
Segmentation fault
  ./Run.dhfr.min_prcg: Program error

2) I have attached the prmtop, inpcrd and mdin

3) Compiler/Compiler version
gfortran
Thread model: posix
gcc version 4.1.2 20080704 (Red Hat 4.1.2-44)

Os CentOS release 5.3

On Wed, Jun 30, 2010 at 10:01 PM, case <case.biomaps.rutgers.edu> wrote:

> On Sun, Jun 27, 2010, Jagdeesh C wrote:
>
> > I am getting the same error with ntb=1. (Segmentation fault)
> >
> > When I set ntmin=1 or 2 the job terminates normally. (Output attached)
>
> I can't reproduce the problem. Some ideas:
>
> 1. Go to $AMBERHOME/test/dhfr, and run the attached file
> "Run.dhfr.min_prcg".
> That will help to see if the problem is specific to the coordinates or
> force
> field you are using.
>
> 2. Post your input file (prmtop and coords and mdin), to see if someone
> else
> can reproduce the error.
>
> 3. Say (again?) what compiler, compiler version and OS you are using.
>
> ...thx...dac
>
>
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>
>


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Received on Mon Jul 05 2010 - 20:30:03 PDT
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