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

[yoneya at nanolc.jst.go.jp]

Dear Dr. Costescu :

Thanks again.

>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.

I'd tried the above first, but the job looks halt (without incleasing
CPU time).
It will work in another configuration of SCore system, but not in
the system I use.

> 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.

This usage of the scatter has not tried yet.
I'll try later.

Thanks again!

Makoto Yoneya
JST/ERATO Yokoyama Nano-LC Project