mpi job runs fine when submitted via scheduler, but fails when run by hand

Faraz H fa... at squashclub.org
Tue Aug 15 16:31:06 CEST 2017


Thanks, we are using : Son of Grid Engine:  https://arc.liv.ac.uk/trac/SGE

On Thursday, August 3, 2017 at 6:33:41 PM UTC-4, Christian Leitold wrote:
>
> On Wednesday, August 2, 2017 at 8:58:09 AM UTC-7, Faraz H wrote:
>
> I figured it out by using the full path to the cp2k executable and passing 
>> the LD_LIBRARY_PATH environment variable. I had to do mpirun -x 
>> LD_LIBRARY_PATH . For some reason I do not have to do this in my submission 
>> script. Perhaps the scheduler takes care of exporting paths and env. 
>> variables for you?
>>
>
> That is most certainly the case. What scheduler are you using? In general, 
> I would say the problem you have described is more of a general MPI / 
> scheduler problem, and not specific to cp2k, as the cp2k executable was not 
> even found by your MPI system.
>
> Best,
> Christian 
>
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