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<p class="MsoNormal">Dear Members, <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Version 23.2<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I want to do a calculation with only 1 k point (isolated system) using MPI parallelisation (Not OPENMPI)<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">This is my first time doing an MPI parallelisation. Hence, I am highly confused after going through the guidebook and the ppts.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Lscpu gives me the information. <br>
<br>
<o:p></o:p></p>
<p class="MsoNormal">CPU(s): 128 <o:p></o:p></p>
<p class="MsoNormal">On-line CPU(s) list: 0-127 <o:p></o:p></p>
<p class="MsoNormal">Thread(s) per core: 2 <o:p></o:p></p>
<p class="MsoNormal">Core(s) per socket: 64 <o:p></o:p></p>
<p class="MsoNormal">Socket(s): 1 <o:p></o:p></p>
<p class="MsoNormal">NUMA node(s): 4<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">echo $OMP_NUM_THREADS gives me as 2. <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Which format of the machines files is correct so that I can allow the calculations to use maximum number of nodes ? I am highly confused<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<ol style="margin-top:0in" start="1" type="1">
<li class="MsoListParagraph" style="margin-left:0in;mso-list:l0 level1 lfo2">granularity:1
<o:p></o:p></li></ol>
<p class="MsoListParagraph">64:localhost #(later I will change from 64 to 32, 16, 8 , 4 and 2 to check the efficiency)<br>
omp_global:2<br>
<br>
<o:p></o:p></p>
<ol style="margin-top:0in" start="2" type="1">
<li class="MsoListParagraph" style="margin-left:0in;mso-list:l0 level1 lfo2">granularity:1
<o:p></o:p></li></ol>
<p class="MsoListParagraph">1:localhost:1 1:localhost:1 1:localhost:1 1:localhost:1 1:localhost:1 1:localhost:1 …….. 64 times (later I will change from 64 to 32, 16, 8 , 4 and 2 to check the efficieny)<br>
omp_global:2<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<ol style="margin-top:0in" start="3" type="1">
<li class="MsoListParagraph" style="margin-left:0in;mso-list:l0 level1 lfo2">set OMP_NUM_Threads to 128<br>
granularity:1 <o:p></o:p></li></ol>
<p class="MsoNormal" style="margin-left:.25in"> 128:localhost #(later I will change from 64 to 32, 16, 8 , 4 and 2 to check the efficiency)<br>
omp_global:2<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Your guidance will be very helpful. <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Thank you. <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span style="mso-ligatures:none;mso-fareast-language:EN-IN">With warm regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-ligatures:none;mso-fareast-language:EN-IN">Pranjal<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:1.0pt;font-family:"Calibri Light",sans-serif;mso-ligatures:none;mso-fareast-language:EN-IN"><o:p> </o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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