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

[marekgocnik via users]

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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@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
> 
> 
> 
> 
> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users@lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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                            <div 
id="part_56e1726af6604909a060b1944fe82f0d"><div><div>I added the prefix to the 
source file, worked like a charm.<br/><br/>Thank you, have a nice 
day<br/><br/><br/><blockquote>** Wed, 22 Mar 2023 14:01:00 +0100 - 
users@lists.quantum-espresso.org **<br/><br/>
<div><div><div>On Wed, 2023-03-22 at 13:45 +0100, Matic wrote:<br/>&gt; 
Hi,<br/>&gt; <br/>&gt; you can add:<br/>&gt; <br/>&gt; prefix "mpirun -np 
X"<br/>&gt; <br/>&gt; to your pwtk script (where X is the number of 
processors); <br/>&gt; this can also be specified in your local 
~/.pwtk/pwtk.tcl file so<br/>&gt; that you don't have to add it to every script 
when running on a<br/>&gt; particular machine<br/><br/>In addition, the 
specification can be made "automatic" by adding the<br/>following snippet to 
~/.pwtk/pwtk.tcl<br/><br/><br/>    # get the number of available 
processors<br/>    set np [exec nproc]<br/>    while { [catch {exec mpirun -n 
$np echo yes}] } {<br/>        set np [expr { $np &gt; 2 ? $np / 2 : 1 }]<br/>  
  }<br/>    prefix mpirun -n $np<br/><br/><br/>This will automatically 
determine the number of cores on your computer<br/>and use them for running QE 
executables.<br/><br/>Regards, Tone<br/>-- <br/>Jožef Stefan Institute, 
Ljubljana, 
Slovenia<br/><br/><br/><br/><br/>_______________________________________________<br/>The
 Quantum ESPRESSO community stands by the Ukrainian<br/>people and expresses 
its concerns about the devastating<br/>effects that the Russian military 
offensive has on their<br/>country and on the free and peaceful scientific, 
cultural,<br/>and economic cooperation amongst 
peoples<br/>_______________________________________________<br/>Quantum 
ESPRESSO is supported by MaX (www.max-centre.eu)<br/>users mailing list 
users@lists.quantum-espresso.org<br/>https://lists.quantum-espresso.org/mailman/listinfo/users</div></div></div></blockquote></div></div></div>
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_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users