[QE-users] Error in neb.x calculation on Cedar cluster

[Dr. K. C. Bhamu]

Could you please check with

srun neb.x -inp RR8.in > RR8.out

Replace -i with -inp


Thank you
Bhamu

On Mon, Apr 5, 2021, 07:29 Rutika Savaliya <rutika.savaliya at mail.mcgill.ca>
wrote:

> Hello
> My name is Rutika, user srutika. I run quantum espresso calculation on the
> Cedar cluster. The Job script is located /scratch/srutika. While neb.x
> calculation is running into the same issue after starting. It started after
> recent changes on computecanada. My run.sh file and error appearing is as
> below:
>
> #!/bin/sh
> #SBATCH --nodes=6
> #SBATCH --ntasks-per-node=48
> #SBATCH --time=08-00:00
> #MPI tasks
> #SBATCH --mem=0
> #SBATCH --account=def-jkopysci
>
> module load quantumespresso/6.5
>
> srun neb.x -i RR8.in > RR8.out
>
>
> My error is as below:
>
> [cdr2189:54345] *** An error occurred in MPI_Type_free
> [cdr2189:54345] *** reported by process [500170752,196]
> [cdr2189:54345] *** on communicator MPI_COMM_WORLD
> [cdr2189:54345] *** MPI_ERR_TYPE: invalid datatype
> [cdr2189:54345] *** MPI_ERRORS_ARE_FATAL (processes in this communicator
> will now abort,
> [cdr2189:54345] ***    and potentially your MPI job)
> In: PMI_Abort(3, N/A)
> slurmstepd: error: *** STEP 65543632.0 ON cdr2092 CANCELLED AT
> 2021-04-04T13:58:54 ***
> srun: Job step aborted: Waiting up to 32 seconds for job step to finish.
> srun: error: cdr2106: tasks 96-143: Killed
> srun: launch/slurm: _step_signal: Terminating StepId=65543632.0
> srun: error: cdr2096: tasks 48-95: Killed
> srun: error: cdr2159: tasks 144-191: Killed
> srun: error: cdr2189: tasks 192-195,197-239: Killed
> srun: error: cdr2092: tasks 0-47: Killed
> srun: error: cdr2190: tasks 240-287: Killed
> srun: error: cdr2189: task 196: Exited with exit code 3
>
>
> I have also attached the slurm file for reference.
>
> Hope to find the solution for this issue.
>
> Thank You.
> Rutika
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