[Wien] passing env variables to lapw1 and 2

[Elias Assmann]

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On 11/10/2015 03:49 PM, Luis Ogando wrote:
> What about to include them in the job submission script ?

The trouble with this is when processes on other nodes are started
with ssh.  Then, the environment is not passed on (and the OP says the
option to do so is disabled on his cluster).

FWIW, I always put my settings in ~/.bashrc, but the suggestion with
‘parallel_options’ is certainly cleaner.  Of course, if you need to
set a variable on a per-job basis for many jobs, it is still troublesome.

If you unset ‘mpi_remote’ during configuration, passing variables
through MPI should work for lapw{1,2} (as long as you are using MPI,
of course).  But even so, some commands (the ones that do not have an
MPI version, I guess) are still run through ssh.

	Elias

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