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Dear Prof.</div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<span style="font-size:0.9em;color:gray">Lorenzo Paulatto</span><br>
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Thanks a lot for your help. Yes it was a problem of wrong units and it is solved after using the correct units.</div>
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Kind regards</div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Dr. Tarek Hammad.<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <paulatz@gmail.com><br>
<b>Sent:</b> Saturday, August 28, 2021 7:09 PM<br>
<b>To:</b> Quan<span style="font-size:0.9em;color:gray">Lorenzo Paulatto</span>utum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Cc:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD with errorcode 1</font>
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<div>you're using a lattice parameter which is about half that of diamond, probably wrong unit of measure ?</div>
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<div>it wont't give any meaningful result without k-points</div>
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<div>apart from that, increasing the cutoff and/or not using many CPUs to run a tiny little system that can run on my phone should solve the issue</div>
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<div>regards</div>
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<div>--<br>
<span style="font-size:0.9em; color:gray">Lorenzo Paulatto - Paris<span></span></span></div>
<div class="x_gmail_quote_attribution">On Aug 28 2021, at 7:30 pm, Microsoft.com team <hammad_tarek@hotmail.com> wrote:</div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">Dear QE team and users</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">I am using QE version 6.7.0 compiled with gfortran in parallel. My operating system is ubuntu 20.04.3 LTS - 64-bit.</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">To test ElaStic code I have constructed the structure file called "c.elastic.in" attached to this mail.</font></font></div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">Therefore, I generated a number of distorted structures like for instance "Dst01_01.in" and I applied the command</font></font></div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">"mpirun -np 2 /home/tarek/software/q-e-qe-6.7.0/bin/pw.x <Dst01_01.in> Dst01_01.out"</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">However, I have got this message as read from terminal:</font></font></div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">----------------------------------------------------------------------------------------------------------------------------------------------------------------</font></font></div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">with errorcode 1.</font></font></div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">You may or may not see output from other processes, depending on</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">exactly when Open MPI kills them.</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">--------------------------------------------------------------------------</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">[tarek-Latitude-E6430:56552] PMIX ERROR: UNREACHABLE in file ../../../src/server/pmix_server.c at line 2193</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">[tarek-Latitude-E6430:56552] 1 more process has sent help message help-mpi-api.txt / mpi-abort</font></font></div>
<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">[tarek-Latitude-E6430:56552] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages</font></font></div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">------------------------------------------------------------------------------------------------------------------------------------------------------------------</font></font></div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">The output and CRASH files are attached with this mail.</font></font></div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">Thanks a lot for your great efforts.</font></font></div>
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<div><font style="font-size:12pt"><font style="font-family:Calibri,Helvetica,sans-serif">Tarek Hammad.</font></font></div>
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