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
--
========================================
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
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
