As an addendum, you can do something like (on Stampede)

ibrun hostname -s | grep -v TACC | grep -e [a-z] > Machines

This runs "hostname -s" on every node, then eliminates some other lines
that you don't want.

You then use a shell script to manage converting from Machines to a Wien2k
.machines format (Peter's approach) or use Machines2W (my approach) via a
template to do it for you.

If srun is working, that can also be used (it is broken on Stampede). I
seem to remember there was another method, but I cannot find it any more.


-----------------------------------
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A

On Mon, Feb 15, 2016 at 3:53 PM, Laurence Marks <l-ma...@northwestern.edu>
wrote:

> If this is Stampede (or has the same ibrun), what you need is
>
> setenv WIEN_MPIRUN "ibrun -n _NP_ -o 0 -machinefile _HOSTS_ _EXEC_ "
>
> This is an ugly hack, it effectively ignores everything that ibrun does
> and instead allows Wien2k to launch the relevant process(es) outside of
> ibrun's control. (The reason one does this is that mpirun is broken on
> Stampede, and I could not find a way to work around this.)
>
> I am cc'ing one of my students who has (?) tested it a bit more.
>
>
> -----------------------------------
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Gyorgi
> www.numis.northwestern.edu ; Corrosion in 4D:
> MURI4D.numis.northwestern.edu
> Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
> Co-Editor, Acta Cryst A
>
> On Mon, Feb 15, 2016 at 3:44 PM, Valerie Base <baseac...@gmail.com> wrote:
>
>>  Hello,
>>
>>
>> In the command: mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>>
>>
>> does _NP_ denote the number of processors and _HOSTS__EXEC denote the
>> host list? Is the host list the same as the .machines file.
>>
>> The system that I'm running WIEN2k on launches MPI job in a slightly
>> different way (ibrun is used instead of mpirun) so knowing how WIEN2k
>> launches MPI jobs will aid my sys. admin help me.
>>
>> Thank you.
>>
>
>
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