[gmx-users] Error with Energy minimisation

Sheyore Omovie omovie_johnnie at hotmail.com
Sun May 20 05:12:48 CEST 2007

Thanks Mark.
No, I dont have another parallel program. Fortunately, l have the serial 
program installed. So I'll use that instead.

>From: Mark Abraham <Mark.Abraham at anu.edu.au>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] Error with Energy minimisation
>Date: Sun, 20 May 2007 10:47:05 +1000
>Sheyore Omovie wrote:
>>I was trying out the Ribonuclease S-peptide simulation in the online 
>>tutorial manual.
>>I get the following error message when I try to do energy minimisation:
>>'<MPICH-MX> Error: Need to obtain the job magic number in MXMPI_MAGIC'
>>What could I have done wrong?
>This is some problem with MPI... can you run other parallel programs?
>gmx-users mailing list    gmx-users at gromacs.org
>Please search the archive at http://www.gromacs.org/search before posting!
>Please don't post (un)subscribe requests to the list. Use the www interface 
>or send it to gmx-users-request at gromacs.org.
>Can't post? Read http://www.gromacs.org/mailing_lists/users.php

PC Magazine’s 2007 editors’ choice for best Web mail—award-winning Windows 
Live Hotmail. 

More information about the gromacs.org_gmx-users mailing list