Re: [Wien] passing env variables to lapw1 and 2

2015-11-11 Thread Pavel Ondracka
On Wed, 2015-11-11 at 08:59 +0100, Peter Blaha wrote: > I'm not sure, why you would not set this permanently in .bashrc. I wanted to be able to adjust the variables on per task/job basis (when running multiple cases in parallel). > Anyway, if ssh does not allow it on your system, you could

Re: [Wien] passing env variables to lapw1 and 2

2015-11-10 Thread 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 : > A partial solution is to include them in $WIENROOT/parallel_options, as > all the parallel routines source this file. You may be able

Re: [Wien] passing env variables to lapw1 and 2

2015-11-10 Thread Elias Assmann
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 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

[Wien] passing env variables to lapw1 and 2

2015-11-10 Thread Pavel Ondracka
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

Re: [Wien] passing env variables to lapw1 and 2

2015-11-10 Thread Laurence Marks
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

Re: [Wien] passing env variables to lapw1 and 2

2015-11-10 Thread Peter Blaha
I'm not sure, why you would not set this permanently in .bashrc. Anyway, if ssh does not allow it on your system, you could modify your lapw1/2para_lapw script and "source" a file in your directory which contains the desired settings. The lines to modify are: ($remote $machine[$p] "cd