<div dir="auto">Could you please check with<div dir="auto"><br></div><div dir="auto"><span style="font-family:calibri,arial,helvetica,sans-serif;font-size:16px;background-color:rgb(255,255,255)">srun neb.x -inp RR8.in > RR8.out</span><br></div><div dir="auto"><span style="font-family:calibri,arial,helvetica,sans-serif;font-size:16px;background-color:rgb(255,255,255)"><br></span></div><div dir="auto"><span style="font-family:calibri,arial,helvetica,sans-serif;font-size:16px;background-color:rgb(255,255,255)">Replace -i with -inp</span></div><div dir="auto"><span style="font-family:calibri,arial,helvetica,sans-serif;font-size:16px;background-color:rgb(255,255,255)"><br></span></div><div dir="auto"><span style="font-family:calibri,arial,helvetica,sans-serif;font-size:16px;background-color:rgb(255,255,255)"><br></span></div><div dir="auto"><span style="font-family:calibri,arial,helvetica,sans-serif;font-size:16px;background-color:rgb(255,255,255)">Thank you</span></div><div dir="auto"><span style="font-family:calibri,arial,helvetica,sans-serif;font-size:16px;background-color:rgb(255,255,255)">Bhamu</span></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Apr 5, 2021, 07:29 Rutika Savaliya <<a href="mailto:rutika.savaliya@mail.mcgill.ca">rutika.savaliya@mail.mcgill.ca</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">




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<span style="margin:0px;font-size:12pt;color:black;background-color:rgb(255,255,255)"><span style="margin:0px;background-color:white"><span style="margin:0px">Hello</span></span></span>
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<div style="margin:0px;font-size:16px;background-color:white"><span style="margin:0px">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. <span style="margin:0px;background-color:white">My run.sh file and error appearing is as below:</span></span></div>
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<div style="margin:0px;font-size:16px;background-color:white">#!/bin/sh
<div>#SBATCH --nodes=6</div>
<div>#SBATCH --ntasks-per-node=48</div>
<div>#SBATCH --time=08-00:00</div>
<div><span style="background-color:rgb(255,255,255);display:inline!important">#MPI tasks</span><br>
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<div>#SBATCH --mem=0</div>
<div>#SBATCH --account=def-jkopysci</div>
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<div>module load quantumespresso/6.5</div>
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srun neb.x -i RR8.in > RR8.out<br>
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<div style="margin:0px;font-size:16px;background-color:white">My error is as below:</div>
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<div style="margin:0px;font-size:16px;background-color:white"><span style="margin:0px"><span style="margin:0px;background-color:white"><span style="margin:0px;background-color:white">[cdr2189:54345] *** An error occurred in MPI_Type_free
<div>[cdr2189:54345] *** reported by process [500170752,196]</div>
<div>[cdr2189:54345] *** on communicator MPI_COMM_WORLD</div>
<div>[cdr2189:54345] *** MPI_ERR_TYPE: invalid datatype</div>
<div>[cdr2189:54345] *** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,</div>
<div>[cdr2189:54345] ***    and potentially your MPI job)</div>
<div>In: PMI_Abort(3, N/A)</div>
<div>slurmstepd: error: *** STEP 65543632.0 ON cdr2092 CANCELLED AT 2021-04-04T13:58:54 ***</div>
<div>srun: Job step aborted: Waiting up to 32 seconds for job step to finish.</div>
<div>srun: error: cdr2106: tasks 96-143: Killed</div>
<div>srun: launch/slurm: _step_signal: Terminating StepId=65543632.0</div>
<div>srun: error: cdr2096: tasks 48-95: Killed</div>
<div>srun: error: cdr2159: tasks 144-191: Killed</div>
<div>srun: error: cdr2189: tasks 192-195,197-239: Killed</div>
<div>srun: error: cdr2092: tasks 0-47: Killed</div>
<div>srun: error: cdr2190: tasks 240-287: Killed</div>
<div>srun: error: cdr2189: task 196: Exited with exit code 3</div>
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<div style="margin:0px;font-size:16px;background-color:white"><span style="margin:0px"><span style="margin:0px;background-color:white"><span style="margin:0px;background-color:white">I have also attached the slurm file for reference.</span></span></span></div>
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</span></span></span></div>
<div style="margin:0px;font-size:16px;background-color:white"><span style="margin:0px"><span style="margin:0px;background-color:white">Hope to find the solution for this issue.</span></span></div>
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<span style="margin:0px;font-size:16px;background-color:white"><span style="margin:0px"><span style="margin:0px;background-color:white">Thank You.</span></span></span></div>
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Rutika </div>
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