[QE-users] using mpirun -np with pwtk script

[marekgocnik]

I added the prefix to the source file, worked like a charm.

Thank you, have a nice day


> ** Wed, 22 Mar 2023 14:01:00 +0100 - users at lists.quantum-espresso.org **
>
> On Wed, 2023-03-22 at 13:45 +0100, Matic wrote:
> > Hi,
> > 
> > you can add:
> > 
> > prefix "mpirun -np X"
> > 
> > to your pwtk script (where X is the number of processors); 
> > this can also be specified in your local ~/.pwtk/pwtk.tcl file so
> > that you don't have to add it to every script when running on a
> > particular machine
> 
> In addition, the specification can be made "automatic" by adding the
> following snippet to ~/.pwtk/pwtk.tcl
> 
> 
>     # get the number of available processors
>     set np [exec nproc]
>     while { [catch {exec mpirun -n $np echo yes}] } {
>         set np [expr { $np > 2 ? $np / 2 : 1 }]
>     }
>     prefix mpirun -n $np
> 
> 
> This will automatically determine the number of cores on your computer
> and use them for running QE executables.
> 
> Regards, Tone
> -- 
> Jožef Stefan Institute, Ljubljana, Slovenia
> 
> 
> 
> 
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