<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Dear all,<div class=""><br class=""></div><div class="">I have compiled Wien2K with openmpi 1.6.3, intel fortran 13.0 and FFT 3.3. The scheduler is OAR.</div><div class=""><br class=""></div><div class="">It seems to work fine for the example files CoS2 except that lapw1 and lapw2 « refuse » to run in parallel. Here is the dayfile content for the last cycle:</div><div class=""><div class=""> cycle 11 <span class="Apple-tab-span" style="white-space:pre"> </span>(Wed Feb 21 15:26:49 CET 2018) <span class="Apple-tab-span" style="white-space:pre"> </span>(30/89 to go)</div><div class="">> lapw0 -p<span class="Apple-tab-span" style="white-space:pre"> </span>(15:26:49) starting parallel lapw0 at Wed Feb 21 15:26:49 CET 2018</div><div class="">-------- .machine0 : 12 processors</div><div class="">30.073u 1.343s 0:04.38 717.1%<span class="Apple-tab-span" style="white-space:pre"> </span>0+0k 0+16io 0pf+0w</div><div class="">> lapw1 -p <span class="Apple-tab-span" style="white-space:pre"> </span>(15:26:53) starting parallel lapw1 at Wed Feb 21 15:26:54 CET 2018</div><div class="">-> starting parallel LAPW1 jobs at Wed Feb 21 15:26:54 CET 2018</div><div class="">running LAPW1 in parallel mode (using .machines)</div><div class="">running lapw1 in single mode</div><div class="">61.065u 0.857s 1:01.94 99.9%<span class="Apple-tab-span" style="white-space:pre"> </span>0+0k 0+16io 0pf+0w</div><div class="">> lapw2 -p <span class="Apple-tab-span" style="white-space:pre"> </span>(15:27:55) running in single mode</div><div class="">19.541u 0.525s 0:20.09 99.8%<span class="Apple-tab-span" style="white-space:pre"> </span>0+0k 0+8io 0pf+0w</div><div class="">> lcore<span class="Apple-tab-span" style="white-space:pre"> </span>(15:28:16) 0.012u 0.003s 0:00.02 50.0%<span class="Apple-tab-span" style="white-space:pre"> </span>0+0k 0+8io 0pf+0w</div><div class="">> mixer<span class="Apple-tab-span" style="white-space:pre"> </span>(15:28:16) 0.048u 0.007s 0:00.06 66.6%<span class="Apple-tab-span" style="white-space:pre"> </span>0+0k 0+8io 0pf+0w</div><div class="">:ENERGY convergence: 1 0.0001 .0000634500000000</div><div class="">:CHARGE convergence: 1 0.01 -.008733</div><div class="">ec cc and fc_conv 1 1 1</div><div class=""><br class=""></div><div class="">> stop</div></div><div class=""><br class=""></div><div class="">Obviously lapw1 and lapw2 are running in single mode.</div><div class=""><br class=""></div><div class="">In the manual it is said that during the lapw1para run the .processes file is created. In my case, it is not.</div><div class=""><br class=""></div><div class="">For information, here is my .machines file content:</div><div class=""><div class="">lapw0: node043:12</div><div class="">dstart: node043:12</div><div class="">nlvdw: node043:12</div><div class="">granularity:1</div><div class="">extrafine:1</div><div class="">lapw2_vector_split:4</div></div><div class=""><br class=""></div><div class="">Could someone give me a hint on what is going on?</div><div class=""><br class=""></div><div class="">Thank you</div><div class="">Best regards</div><div class=""><br class=""></div><div class=""><br class=""><div class="">
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