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

[Makoto Yoneya]

Thanks Hori-san for comments.

> -----Original Message-----
> From: Atsushi HORI
 
> scrun -scored=cmp***,nodes=4 scatter -file /tmp/data.tpr :: mdrun_d 
> -np 4 -deffnm /tmp/data < data.tpr

It improve the situation!
Now program looks running since not only elapsed time, but CPU time
also increasing (only elapse time in the former time).
However, even I tried very short (only 5 step) run, the job continue to
run over 30 CPU minutes.
Also in this time, there are no screen listing of STDOUT or STDERR
and also any log files on the invoking directory.
Then, some file output problems are now occurring etc.
Still need helps!

Makoto Yoneya
JST/ERATO Yokoyama Nano-LC project