<div dir="auto">i.e. paste the result of "cat $WIENROOT/parallel_options" into an email.<br><br><div data-smartmail="gmail_signature">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jul 21, 2020, 07:44 Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="auto"><div>What are you using in parallel_options? The statement:<div dir="auto">"<span style="font-family:sans-serif;font-size:12.8px">parallel option file: # setenv WIEN_MPIRUN "srun -K1 _EXEC_"</span><br style="font-family:sans-serif;font-size:12.8px"><span style="font-family:sans-serif;font-size:12.8px">Because of compatible issues, we don't use srun by commented the WIEN_MPIRUN line in parallel option file and use the mpirun directly." is ambiguous.</span></div><div dir="auto"><font face="sans-serif"><span style="font-size:12.8px"><br></span></font></div><div dir="auto"><font face="sans-serif"><span style="font-size:12.8px">What mpi?<br></span></font><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu" target="_blank" rel="noreferrer">www.numis.northwestern.edu</a></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jul 21, 2020, 05:48 MA Weiliang <<a href="mailto:weiliang.MA@etu.univ-amu.fr" target="_blank" rel="noreferrer">weiliang.MA@etu.univ-amu.fr</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear WIEN2K users,<br>
<br>
The cluster we used is a memory shared system with 16 cpus per node. The calculation distributed in 2 nodes with 32 cpus. But actually all the mpi processes were running in the first node according to the attached top ouput. There were not processes in the second nodes. As you can see, the usage of cpu is around 50%. It seemes that the calculation didn't distribute in 2 nodes, but only splitted the fisrt node (16 cpus) into 32 prcesses with half computing power. <br>
<br>
Do you have any ideas for this problem? The .machines, wien2k info, dayfile and job output are attached below. Thank you!<br>
<br>
Best,<br>
Weiliang<br>
<br>
<br>
#========================================#<br>
# output of top<br>
#----------------------------------------#<br>
PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND<br>
43504 mc 20 0 614m 262m 27m R 50.2 0.3 21:45.54 lapw1c_mpi<br>
43507 mc <br><br>
granularity:1<br>
extrafine:1<br>
<br>
<br>
#========================================#<br>
# wien2k info<br>
#----------------------------------------#<br>
wien2k version: 18.2<br>
complier: ifort, icc, mpiifort (intel 2017 compliers)<br>
parallel option file: # setenv WIEN_MPIRUN "srun -K1 _EXEC_"<br>
Because of compatible issues, we don't use srun by commented the WIEN_MPIRUN line in parallel option file and use the mpirun directly.<br><br>
<br>
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