<div dir="ltr"><div>Dear Lorenzo,</div><div>Is there any parallelization method so that I can make images such that 20 dyn files will get distributed unequally on the equal number of processors or dyn files will get distributed equally on unequal number of processors ?</div><div><br></div><div>Because in my case as per my observation dyn1-10 are not taking too much time, most of the time has been spent on dyn11-dyn20 generation. So, If I could run dyn 1-10 on one image and distribute remaining dyn11-20 on 3 images CPU walltime can be decreased. Is it possible to do something like that? </div><div><br></div><div>I tried parallelization on 256 processors (#PBS -l select=16:ncpus=16) for 10hrs using the following parallelization command</div><div>time -p mpirun -np $PBS_NTASKS ph.x -ni 4 -nk 4 -nt 4 -nd 16 -input <a href="http://ph.in/" target="_blank">ph.in</a> > ph.out<br></div><div>in this case 20dyn files got distributed in 4 images i.e 5 dyn on one image ( I guess). And each image runs on 256/4=64 processors, means my 64*2=128 processors are of no use after creating dyn 1-10. So, according to me If could run dyn 1-10 on one image and can divide remaining 10 dyn files (dyn 11-20) on 3-4 images all processors will finish almost together.</div><div><br></div><div>Kindly suggest on the same.</div><div><br></div><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><font face="verdana, sans-serif">Thanks & Regards,<br></font></div><div dir="ltr"><font face="verdana, sans-serif">Kiran Yadav</font></div><div dir="ltr"><div><font face="verdana, sans-serif">Research Scholar</font></div><div><font face="verdana, sans-serif">Electronic Materials Laboratory (TX-200G)</font></div><div><font face="verdana, sans-serif">Dept. of Materials Science & Engineering</font></div><div><font face="verdana, sans-serif">Indian Institute of Technology, Delhi</font></div></div></div><div dir="ltr"><div><i><br><br></i></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Nov 24, 2020 at 2:57 PM Kiran Yadav <<a href="mailto:kiranyadav0816@gmail.com">kiranyadav0816@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Dear Lorenzo,</div><div>Is there any parallelization method so that I can make images such that 20 dyn files will get distributed unequally on the equal number of processors or dyn files will get distributed equally on unequal number of processors ?</div><div><br></div><div>Because in my case as per my observation dyn1-10 are not taking too much time, most of the time has been spent on dyn11-dyn20 generation. So, If I could run dyn 1-10 on one image and distribute remaining dyn11-20 on 3 images CPU walltime can be decreased. Is it possible to do something like that? </div><div><br></div><div>I tried parallelization on 256 processors (#PBS -l select=16:ncpus=16) for 10hrs using the following parallelization command</div><div>time -p mpirun -np $PBS_NTASKS ph.x -ni 4 -nk 4 -nt 4 -nd 16 -input <a href="http://ph.in/" target="_blank">ph.in</a> > ph.out<br></div><div>in this case 20dyn files got distributed in 4 images i.e 5 dyn on one image. 256/4=</div><div><br></div><div><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><font face="verdana, sans-serif">Thanks & Regards,<br></font></div><div dir="ltr"><font face="verdana, sans-serif">Kiran Yadav</font></div><div dir="ltr"><div><font face="verdana, sans-serif">Research Scholar</font></div><div><font face="verdana, sans-serif">Electronic Materials Laboratory (TX-200G)</font></div><div><font face="verdana, sans-serif">Dept. of Materials Science & Engineering</font></div><div><font face="verdana, sans-serif">Indian Institute of Technology, Delhi</font></div></div></div><div dir="ltr"><div><i><br><br></i></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Nov 24, 2020 at 1:19 PM Lorenzo Paulatto <<a href="mailto:paulatz@gmail.com" target="_blank">paulatz@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><br>
> I have been trying to calculate Phonon dispersion with 6*6*6 nq grid. <br>
> It generates dyn0+20 other dynamical matrices, but the time taken by <br>
> each dynamical matrix file is different for completion. I ran these <br>
> phonon dispersion calculations using parallelization, but couldn't <br>
> optimize correctly.<br>
<br>
This is normal, because different q-points have different symmetries, <br>
the code has to use different numbers of k-points.<br>
<br>
<br>
regards<br>
<br>
<br>
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