[gmx-users] Re: Parallel instalation: gmx-users Digest, Vol 74, Issue 76

[Carsten Kutzner]

Hi Abdul,

please keep Gromacs-related questions on the list. The error
is exactly as printed: You have more than 128 backups of md.log
in your directory, at this point mdrun does not make more backups
of md.log any more. You have to delete the #md.log.*# files.

Carsten


On Jun 18, 2010, at 7:24 AM, abdul wadood wrote:

> Dear Carsten
> 
> When I reduce the number of steps in mdp file the error change which now
> 
> 0: Fatal error:
> 0: Won't make more than 128 backups of md.log for you
> 0: -------------------------------------------------------
> 0:
> 0: "I Wonder, Should I Get Up..." (J0: p0_27074:  p4_error: : -1
> . Lennon)
> 0:
> 0: Halting program mdrun_mpi
> 0:
> 0: gcq#46: "I Wonder, Should I Get Up..." (J. Lennon)
> 0:
> 0: [0] MPI Abort by user Aborting program !
> 0: [0] Aborting program!
> 0:     p4_error: latest msg from perror: No such file or directory
> 
> 
> Abdul Wadood, 
> Research Scholar, 
> Dr.Panjwani Center for Molecular Medicine and 
> Drug Research, 
> International Center for Chemical and 
> Biological Science, 
> University of Karachi, Karachi-75720, Pakistan. 
> Email:wadoodbiochemist at hotmail.com 
> 
> 
> 
> 
> From: ckutzne at gwdg.de
> Subject: Re: Parallel instalation: gmx-users Digest, Vol 74, Issue 76
> Date: Thu, 17 Jun 2010 16:36:51 +0200
> To: wadoodbiochemist at hotmail.com
> 
> On Jun 17, 2010, at 3:57 PM, abdul wadood wrote:
> 
> Dear Carsten
> 
> I give the path for the topol.tpr file now the error is change which is
> 
> Fatal error:
> 3: Too many LINCS warnings (4254)
> 3: If you know what you are doing you can adjust the lincs warning threshold in your mdp file
> 3: or set the environment variable GMX_MAXCONSTRWARN to -1,
> 3: but normally it is better to fix the problem
> 3: -------------------------------------------------------
> 3:
> Maybe your system is not well equilibrated, or your time step is too long.
> 
> Carsten
> 
> Hotmail is redefining busy with tools for the New Busy. Get more from your inbox. See how.


--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne




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