[gmx-users] Re: gmx-users Digest, Vol 94, Issue 159

[Justin A. Lemkul]

priya thiyagarajan wrote:
> 
> hello sir,
> 
> Thanks for your kind reply..
> 
> i tried like what you suggest..
> i used the command
> 
> mdrun -s md60.tpr -cpi state.cpt -o md60.trr -x traj.xtc -e md60.edr -c 
> md60.gro -g md60.log
> 
> to extend my simulation..
>  
> but again  i got error as follows
> 
> 
> Reading file md60.tpr, VERSION 4.5.5 (single precision)
> Starting 8 threads
> 
> Reading checkpoint file state.cpt generated: Fri Feb 17 19:46:58 2012
> 
> 
> 
> -------------------------------------------------------
> Program mdrun, VERSION 4.5.5
> Source code file: checkpoint.c, line: 1757
> 
> Fatal error:
> Failed to lock: md60.log. Function not implemented.
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
> 
> 
> 
> please help me with your answer...
> 
> i dono how to resolve this problem..
> 

Use -noappend and just concatenate your output later.  Something in the 
filesystem thinks your .log file is still in use.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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