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<span style="margin:0px;font-size:12pt;background-color:rgb(255, 255, 255)"><span style="margin:0px;color:black;background-color:rgb(255, 255, 255)"><span style="margin:0px;font-size:13.32px;color:rgb(50, 49, 48);background-color:white">Dear colleagues,</span></span></span></div>
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<span style="margin:0px;font-size:13.32px;color:rgb(50, 49, 48);background-color:white">I am facing a problem when running relaxation calculation for slab of WN</span><span style="margin:0px;font-size:13.32px;color:rgb(50, 49, 48);background-color:white">.
I have attached the input file for the calculation.<span> </span><span style="margin:0px;font-size:12pt;color:black;background-color:rgb(255, 255, 255)"><span style="margin:0px;font-size:13.32px;color:rgb(50, 49, 48);background-color:white">I have been using
qe version 6.1 for the calculation on cloud server of CEDAR on COMPUTE CANADA. </span></span>Each time I run the code it fails no matter how many iteration steps I provide:</span></div>
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<div style="margin:0px"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% </div>
<div style="margin:0px">srun: error: cdr2129: task 12: Killed
<div style="margin:0px">srun: launch/slurm: _step_signal: Terminating StepId=62574073.0</div>
<div style="margin:0px">slurmstepd: error: *** STEP 62574073.0 ON cdr2129 CANCELLED AT 2021-02-27T02:30:44 ***</div>
<div style="margin:0px">srun: error: cdr2129: task 14: Killed</div>
<div style="margin:0px">forrtl: error (78): process killed (SIGTERM)</div>
<div style="margin:0px">Image PC Routine Line Source </div>
<div style="margin:0px">pw.x 000000000241CFDD Unknown Unknown Unknown</div>
<div style="margin:0px">pw.x 000000000241AE77 Unknown Unknown Unknown</div>
<div style="margin:0px">pw.x 00000000023C3FC4 Unknown Unknown Unknown</div>
<div style="margin:0px">pw.x 00000000023C3DD6 Unknown Unknown Unknown</div>
<div style="margin:0px">pw.x 000000000234C746 Unknown Unknown Unknown</div>
<div style="margin:0px">pw.x 000000000235371E Unknown Unknown Unknown</div>
<div style="margin:0px">Unknown 00002AD73532EE90 Unknown Unknown Unknown</div>
<div style="margin:0px">Unknown 00002AD736F1C2B3 Unknown Unknown Unknown</div>
<div style="margin:0px">libopen-pal.so.20 00002AD736E9914B Unknown Unknown Unknown</div>
<div style="margin:0px">libmpi.so.20 00002AD735C48E17 Unknown Unknown Unknown</div>
<div style="margin:0px">libmpi.so.20 00002AD735C9EEFF Unknown Unknown Unknown</div>
<div style="margin:0px">libmpi.so.20 00002AD735C5B96F Unknown Unknown Unknown</div>
libmpi_mpifh.so.2 00002AD7359C0E6E Unknown Unknown Unknown<br>
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<div style="margin:0px"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
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<span style="margin:0px;font-size:12pt;color:black;background-color:rgb(255, 255, 255)"><span style="margin:0px;font-size:13.32px;color:rgb(50, 49, 48);background-color:white"><br>
</span></span></span></div>
<div style="margin:0px;color:black;background-color:rgb(255, 255, 255)"><span style="margin:0px;font-size:13.32px;color:rgb(50, 49, 48);background-color:white">Please give me some advice to successfully run my code .</span></div>
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</span></div>
<div style="margin:0px;color:black;background-color:rgb(255, 255, 255)"><span style="margin:0px;font-size:13.32px;color:rgb(50, 49, 48);background-color:white">Regards,</span></div>
<div style="margin:0px;color:black;background-color:rgb(255, 255, 255)"><span style="margin:0px;font-size:13.32px;color:rgb(50, 49, 48);background-color:white">Rutika Savaliya</span></div>
<div style="margin:0px;font-size:15px;color:rgb(32, 31, 30);background-color:rgb(255, 255, 255)">
<span style="margin:0px;font-size:13.32px">Department of Chemical Engineering</span></div>
<span style="margin:0px;font-size:15px;color:rgb(32, 31, 30);background-color:rgb(255, 255, 255)"><span style="margin:0px;font-size:13.32px">McGill University</span></span></div>
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