queing script

option, parallelism,...

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davt
Posts: 2
Joined: Wed Mar 09, 2011 6:38 pm

queing script

Post by davt » Wed Mar 09, 2011 6:47 pm

Dear all,
I´ve just started to use abinit. I´ve installed on my computer and I´m learning from tutorial how to use the program.
In the meantime I asked to install abinit also in our cluster. The responsible wrote me an email asking this:

"
Hi Davide,

do you have some kind of queuing script for abinit or gamess? As I don't now
either program it is somewhat difficult to write these from scratch...

Thank you!
Manuel.
"

does some script exist?

thanks a lot
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Boris
Posts: 128
Joined: Tue Feb 16, 2010 10:13 am
Location: France

Re: queing script

Post by Boris » Wed Mar 09, 2011 7:13 pm

Hi

The queuing script is not universal. It depends on the cluster you're using. The only thing that might be in common in all queuing scripts is the command line to run abinit, something like:

Code: Select all

mpirun /path/to/executable/abinit < input.files >& output


The rest is machine-dependent and the cluster admin is the best person you should ask for this.

Boris
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Boris Dorado
Atomic Energy Commission
France
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