<div dir="ltr"><div dir="ltr">On Wed, Aug 26, 2020 at 5:05 PM Ranasinghe, Jayangani <<a href="mailto:jir520@mail.usask.ca">jir520@mail.usask.ca</a>> wrote:</div><div dir="ltr"><br></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">I am using qe 6.2.2 for calculating electron relaxation time using with the epw package.</div></div></blockquote><div><br></div><div>really? there is no such version: qe 6.2.1 maybe?<br></div><div><br></div><div>About your problem: the 6.2.1 version is almost 3 years old. Nobody has the time to look for bugs in an old version.</div><div><br></div><div>By the way: memory leaks are often the result of sloppy coding, but sometimes compilers or libraries are responsible</div><div>Also note that the true amount of memory used by a code is one of the deepest mysteries of IT.<br></div><div><br></div><div>Paolo<br></div><div> </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 style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)"> This calculation needs scf, ph, nscf and epw programs to run to the given order. Because of this calculation is computationally demanding and has many factors to optimize
to get a convergent result, I wanted to use three different supercomputer clusters. In order to check the consistency of the result I ran the same calculation on the three computers. However, I noticed the memory usage on each cluster is totally different.
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Computer 1: <u></u> <u></u></p>
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<span style="color:black;background:rgb(255,255,128) none repeat scroll 0% 0%">Memory Utilized: 8.36 GB (estimated maximum</span>)<br>
<span style="color:black;background:rgb(255,255,128) none repeat scroll 0% 0%">> Memory Efficiency: 2.23% of 375.00 GB (187.50 GB/node)</span><u></u> <u></u></p>
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Computer 2:<u></u> <u></u></p>
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<span style="background:yellow none repeat scroll 0% 0%">Memory Utilized: 51.64 GB (estimated maximum)<br>
<span style="color:black">> Memory Efficiency: 183.62% of 28.12 GB (1.76 GB/core)</span></span>
<u></u> <u></u></p>
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Computer 3:<u></u> <u></u></p>
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<span style="background:yellow none repeat scroll 0% 0%">>Memory Utilized: 174.14 GB<br>
> Memory Efficiency: 93.36% of 186.52 GB</span><u></u> <u></u></p>
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Further, ph.x calculation is crashed in the third computer. This program needs to create 10 madyn files for my input. However, the third computer generated only 4 matdyn files, but it finished the ph.out file without any crashing. In the other two computers,
this did not happen (but still the memory usage is different).<u></u> <u></u></p>
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Our computer support says this could happen due to a bug in the QE program. Could you please let me know if there is a problem in this version of QE or any other reason for the issue. Thank you.<u></u> <u></u></p>
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