[Wien] passing env variables to lapw1 and 2

[Luis Ogando]

  What about to include them in the job submission script ?
   All the best,
         Luis

2015-11-10 12:32 GMT-02:00 Laurence Marks <L-marks at northwestern.edu>:

> A partial solution is to include them in $WIENROOT/parallel_options, as
> all the parallel routines source this file. You may be able to tweak this
> for what you want, but since I don't know exactly what you want to set I am
> not sure.
>
> N.B., if you are using openmpi then you have to enable transfer for
> variables in the mpi call command, and perhaps for other flavors as well.
>
> On Tue, Nov 10, 2015 at 8:25 AM, Pavel Ondracka <pavel.ondracka at email.cz>
> wrote:
>
>> Dear Wien2k mailing list,
>>
>> I'm having some troubles passing environmental variables (eg.
>> OMP_NUM_THREADS or similar) to lapw1 and lapw2. This works in serial
>> mode where the lapw* programs are called directly, however in parallel
>> mode they are run through remote shell and all environmental info is
>> lost.
>> I can declare them in my .bashrc and then it works (since the .bashrc
>> is reloaded when remote shell is spawned) however i would  like to
>> specify them per task.
>> One solution I had in mind was to go through AcceptEnv in sshd however
>> this is considered insecure according to cluster admins an is disabled.
>> Another option is to modify the wien scripts to include the required
>> variables when calling the remote shell, however at the moment I'm
>> wondering if there is more universal and elegant solution?
>> Any ideas?
>>
>> Best regards
>> Pavel Ondračka
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>
>
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu
> Corrosion in 4D: MURI4D.numis.northwestern.edu
> Co-Editor, Acta Cryst A
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought"
> Albert Szent-Gyorgi
>
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