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<p class="MsoNormal" style="margin-bottom: 0.0001pt; "><span style="font-family:"Segoe UI","sans-serif";mso-fareast-font-family:
"Times New Roman";color:#2A2A2A;background:white">Dear sir/madam,</span><span style="font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
"Times New Roman""><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A">I am running a
parallel execution (pw.x) on a SLURM LINUX interface and once I run the command
sbatch filename.srm, the calculation starts running and then stops with the
follwing error:<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A">"</span><i><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:#2A2A2A;background:white">mpiexec_veredas5: cannot connect to local mpd</span></i><span style="font-family:"Segoe UI","sans-serif";mso-fareast-font-family:"Times New Roman";
color:#2A2A2A"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><i><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"> (/tmp/mpd2.console_sushil);
possible causes:</span></i><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><i><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"> 1. no mpd
is running on this host</span></i><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><i><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"> 2. an mpd is
running but was started without a "console" (-n option)</span></i><span style="font-family:"Segoe UI","sans-serif";mso-fareast-font-family:"Times New Roman";
color:#2A2A2A"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><i><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"> In case 1, you
can start an mpd on this host with:</span></i><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><i><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"> mpd
&</span></i><span style="font-family:"Segoe UI","sans-serif";mso-fareast-font-family:
"Times New Roman";color:#2A2A2A"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><i><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"> and you will be
able to run jobs just on this host.</span></i><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><i><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"> For more details
on starting mpds on a set of hosts, see</span></i><span style="font-family:
"Segoe UI","sans-serif";mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><i><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"> the MPICH2
Installation Guide."</span></i><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p><br></o:p></span></p><p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p>The script is executed using the package of quantum Espresso (QE). You will find below the script I am using to run the QE: The architecture is an INTEL based cluster.</o:p></span></p><p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p><br></o:p></span></p><p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
14.25pt;background:white"><span style="font-family:"Segoe UI","sans-serif";
mso-fareast-font-family:"Times New Roman";color:#2A2A2A"><o:p>" </o:p></span><span style="font-family: 'Courier New'; font-size: 10pt; ">#!/bin/bash</span></p><p class="MsoPlainText"><span style="font-family:"Courier New"">
#SBATCH -o
/home_cluster/fis718/eliemouj/espresso-4.3.2/GB72/GB72-script.scf.out<br>
#SBATCH -N 1<br>
#SBATCH --nodelist=veredas13<br>
#SBATCH -J scf-GB72-ph<br>
#SBATCH --account=fis718<br>
#SBATCH --partition=long<br>
#SBATCH --get-user-env<br>
#SBATCH -e GB72ph.scf.fit.err<br>
<br>
/opt/mpi/mpibull2-1.3.9-18.s/bin/mpiexec /home_cluster/fis718</span><span style="font-family: 'Courier New'; font-size: 10pt; ">eliemouj/espresso-4.3-2/bin/pw.x
<GB72ph.scf.in >GB72ph.scf.out</span></p><p class="MsoPlainText"><span style="font-family:"Courier New"">"
</span></p><p class="MsoPlainText"><span style="font-family:"Courier New"">Please can anyone tell me what might be going wrong and how to fix this. I am not that professional in LINUX; I would appreciate a rather detailed solution for the problem or if possible where can I find such a solution. Hope to hear from you soon.</span></p><p class="MsoPlainText"><span style="font-family:"Courier New""><br></span></p><p class="MsoPlainText"><span style="font-family:"Courier New"">Regards</span></p><p class="MsoPlainText"><span style="font-family:"Courier New""><br></span></p><p class="MsoPlainText"><span style="font-family:"Courier New"">Elie Moujaes</span></p><p class="MsoPlainText"><span style="font-family:"Courier New""><br></span></p>
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14.25pt;background:white"><font color="#2a2a2a" face="'Courier New'"><i><br></i></font></p> </div></body>
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