[SCore-users-jp] RE: [SCore-users] How to specify a input data file with scrun?

[Bogdan Costescu]

On Fri, 28 Mar 2003 yoneya ＠ nanolc.jst.go.jp wrote:

> since -deffnm specify the generic name for I/O files

OK, as I'm not a GROMACS user, I missed this in the docs. Then the 
suggestion from Atsushi should work. But wouldn't be even simpler to take 
the file(s) from the current directory, i.e. why wouldn't it work like:

scrun [options] mdrun_d -deffnm [options]

started in the directory where data.tpr already exists.

> As far as I knonw, GROMACS does not read the input data from stdin

Sorry, I misinterpreted the line you first posted.

> However, since I do not know which node will become the primary node,
> I tried to copy the input data file to all the nodes in the group.

No, you don't know on which nodes the job will run, but scrun/scatter do.  
So by using "scatter -node 0", stdin will be sent to the first node of the
job, whatever this is.

-- 
Bogdan Costescu

IWR - Interdisziplinaeres Zentrum fuer Wissenschaftliches Rechnen
Universitaet Heidelberg, INF 368, D-69120 Heidelberg, GERMANY
Telephone: +49 6221 54 8869, Telefax: +49 6221 54 8868
E-mail: Bogdan.Costescu ＠ IWR.Uni-Heidelberg.De



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