[QE-users] problem with pw.x

[Rutika Savaliya]

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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