[gmx-users] how to direct log file correctly?

Justin Lemkul jalemkul at vt.edu
Wed Apr 17 17:33:30 CEST 2013



On 4/17/13 11:30 AM, Albert wrote:
> Hello:
>
>   I found that each time I submit gromacs job in GPU workstation, the log file
> always in my terminal screen, like:
>
> imb F  1% step 13700, will finish Wed Apr 17 17:57:20 2013
> imb F  1% step 13800, will finish Wed Apr 17 17:57:20 2013
> imb F  0% step 13900, will finish Wed Apr 17 17:57:20 2013
> imb F  0% step 14000, will finish Wed Apr 17 17:57:20 2013
> imb F  1% step 14100, will finish Wed Apr 17 17:57:19 2013
> imb F  0% step 14200, will finish Wed Apr 17 17:57:19 2013
> imb F  0% step 14300, will finish Wed Apr 17 17:57:19 2013
> imb F  0% step 14400, will finish Wed Apr 17 17:57:19 2013
>
>
> I am using command:
>
> mpirun -np 2 mdrun_mpi -v -s nvt.tpr -c nvt.gro -g nvt.log -x nvt.xtc
> grompp_mpi -f npt1.mdp  -c nvt.gro -p topol.top -o heavy.tpr -n
> mpirun -np 2 mdrun_mpi -v -s heavy.tpr -c heavy.gro -x heavy.xtc -g 1000.log
>
>
>
> I am just wondering how can we direct the log file correctly? Meanwhile tho job
> won't have any problem going to next step (I am running all the steps in one
> script).
>

You're only getting that output because you're enabling verbose mode with -v. 
If you don't want that information, don't use -v.  If you do want it, but just 
want it written to a file, redirect it using standard command line redirection 
(Google is your friend).

-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

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