Re: GU: How can I submit a lot of jobs at the same time

[Patrick Bultinck <Patrick.Bultinck@rug.ac.be>]

On Thu, 25 Jul 1996, Istvan Cserny wrote:

> Demetrio A. Da Silva Filho wrote:
> > 
> > Dear Friends,
> > I started to use Gamess last friday and I already have a lot of moleculas
> > to make calculations. So, instead of wait for the end of one calculation
> > to  submit another, I tryed to make a script.
> .... 
> > But when I tryed to make the same thing to make a script for the gamess
> > jobs, I failed.
> > I wrote:
> > 
> > gms JOB1 > & JOB1.out
> > gms JOB2 > & JOB2.out
> > ...
> 
> Please, omit the space between characters ">" and "&" from your script.
> You can get some other useful ideas from the script "runall" included
> in the GAMESS package.
> 
> Istvan CSERNY
> 

You work in ksh :

I would leave the & out, since there are some 'set' commando options in 
the gms executable. Furthermore, it is in the wrong place anyway. gms 
JOB1 > JOB1.out & would work, but would give nonsens, since you would 
have to hit 'enter' every time to see if the job ended... Due to the & 
you will not get a prompt after the end...

The spaces are not relevant. Making it >& will not help, since you will 
get a 'bad unit number' error.

You work in csh :

Demetrio is fully correct then. The runall script also uses /bin/csh. You 
can use the commando's from runall only if you are working in a csh 
environment. In ksh this will not work.

In general :

You can use two types of scripts (even more, but I use two). First there 
are things like runall :

#!/bin/csh

foreach JOB ( job1 job2 )

gms $JOB>$JOB.log
# you can use &, nice etc. here

end


or just a script like a sum of lines you could type in in the ksh 
environment (what I think you are doing).

gms job1>job1
gms job2>job2
...

Do not use & or nice here...

As Gotthard already said, you should give more information on the errors 
you got.


Patrick Bultinck
Ph. D. student, SA QuantumChemistry
University of Ghent
Belgium