[gmx-users] query for gromacs-4.5.4

[Justin Lemkul]

On 3/6/13 4:20 AM, Chaitali Chandratre wrote:
> Dear Sir ,
>
> I am new to this installation and setup area. I need some information for
> -stepout option for

What more information do you need?

> mdrun_mpi and also probable causes for segmentation fault in  gromacs-4.5.4.
> (my node having 64 GB mem running with 16 processes, nsteps = 20000000)
>

There are too many causes to name.  Please consult 
http://www.gromacs.org/Documentation/Terminology/Blowing_Up.  If you need 
further help, please be more specific, including a description of the system, 
steps taken to minimize and/or equilibrate it, and any complete .mdp file(s) 
that you are using.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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