[QE-users] problem with pw.x

[Lorenzo Paulatto]

Hello Rutika,
from what you tell us it could be anything: out of memory, out of time, an actual bug in the code or in the libraries. You should try to narrow it down with the help of the people managing the server first

cheers
--
Lorenzo Paulatto - Paris
On Feb 28 2021, at 2:37 am, Rutika Savaliya <rutika.savaliya at mail.mcgill.ca> wrote:
>
> Dear colleagues,
>
> I am facing a problem when running relaxation calculation for slab of WN. I have attached the input file for the calculation. I have been using qe version 6.1 for the calculation on cloud server of CEDAR on COMPUTE CANADA. Each time I run the code it fails no matter how many iteration steps I provide:
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> srun: error: cdr2129: task 12: Killed
> srun: launch/slurm: _step_signal: Terminating StepId=62574073.0
> slurmstepd: error: *** STEP 62574073.0 ON cdr2129 CANCELLED AT 2021-02-27T02:30:44 ***
> srun: error: cdr2129: task 14: Killed
> forrtl: error (78): process killed (SIGTERM)
> Image PC Routine Line Source
> pw.x 000000000241CFDD Unknown Unknown Unknown
> pw.x 000000000241AE77 Unknown Unknown Unknown
> pw.x 00000000023C3FC4 Unknown Unknown Unknown
> pw.x 00000000023C3DD6 Unknown Unknown Unknown
> pw.x 000000000234C746 Unknown Unknown Unknown
> pw.x 000000000235371E Unknown Unknown Unknown
> Unknown 00002AD73532EE90 Unknown Unknown Unknown
> Unknown 00002AD736F1C2B3 Unknown Unknown Unknown
> libopen-pal.so.20 00002AD736E9914B Unknown Unknown Unknown
> libmpi.so.20 00002AD735C48E17 Unknown Unknown Unknown
> libmpi.so.20 00002AD735C9EEFF Unknown Unknown Unknown
> libmpi.so.20 00002AD735C5B96F Unknown Unknown Unknown
> libmpi_mpifh.so.2 00002AD7359C0E6E Unknown Unknown Unknown
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
> Please give me some advice to successfully run my code .
>
> Regards,
> Rutika Savaliya
> Department of Chemical Engineering
> McGill University
>
>
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