<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="">Thank you Laurence for your prompt reply. It works much better this way!<div class=""><br class=""></div><div class="">Pascal</div><div class=""><div class=""><div dir="auto" style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div dir="auto" style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div dir="auto" style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><br class=""></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div><br class="Apple-interchange-newline">
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<div><br class=""><blockquote type="cite" class=""><div class="">Le 21 févr. 2018 à 16:14, Laurence Marks <<a href="mailto:L-marks@northwestern.edu" class="">L-marks@northwestern.edu</a>> a écrit :</div><br class="Apple-interchange-newline"><div class=""><meta http-equiv="Content-Type" content="text/html; charset=utf-8" class=""><div dir="ltr" class="">You forgot to include the lines to tell lapw1/lapw2 to run in parallel, e.g. use:<div class=""><br class=""></div><div class="">
<div style="font-family: arial, sans-serif; font-size: 12.8px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);" class="">1:node043:12</div><div style="font-family: arial, sans-serif; font-size: 12.8px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);" class="">lapw0: node043:12</div><div style="font-family: arial, sans-serif; font-size: 12.8px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);" class="">dstart: node043:12</div><div style="font-family: arial, sans-serif; font-size: 12.8px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);" class="">nlvdw: node043:12</div><div style="font-family: arial, sans-serif; font-size: 12.8px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);" class="">granularity:1</div><div style="font-family: arial, sans-serif; font-size: 12.8px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);" class="">extrafine:1</div><div style="font-family: arial, sans-serif; font-size: 12.8px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);" class="">lapw2_vector_split:4</div><div style="font-family: arial, sans-serif; font-size: 12.8px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);" class=""><br class=""></div><div style="font-family: arial, sans-serif; font-size: 12.8px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255);" class="">N.B., unless this is a very big calculation, the "lapw2_vector_split" will get in the way.</div>
<br class=""></div></div><div class="gmail_extra"><br class=""><div class="gmail_quote">On Wed, Feb 21, 2018 at 8:52 AM, pboulet <span dir="ltr" class=""><<a href="mailto:pascal.boulet@univ-amu.fr" target="_blank" class="">pascal.boulet@univ-amu.fr</a>></span> wrote:<br class=""><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div style="word-wrap:break-word;line-break:after-white-space" class="">
Dear all,
<div class=""><br class="">
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<div class="">I have compiled Wien2K with openmpi 1.6.3, intel fortran 13.0 and FFT 3.3. The scheduler is OAR.</div>
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<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="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap"></span>(Wed Feb 21 15:26:49 CET 2018)
<span class="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap"></span>(30/89 to go)</div>
<div class="">> lapw0 -p<span class="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap"> </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="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap">
</span>0+0k 0+16io 0pf+0w</div>
<div class="">> lapw1 -p <span class="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap">
</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="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap">
</span>0+0k 0+16io 0pf+0w</div>
<div class="">> lapw2 -p <span class="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap">
</span>(15:27:55) running in single mode</div>
<div class="">19.541u 0.525s 0:20.09 99.8%<span class="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap">
</span>0+0k 0+8io 0pf+0w</div>
<div class="">> lcore<span class="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap"> </span>
(15:28:16) 0.012u 0.003s 0:00.02 50.0%<span class="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap">
</span>0+0k 0+8io 0pf+0w</div>
<div class="">> mixer<span class="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap"> </span>
(15:28:16) 0.048u 0.007s 0:00.06 66.6%<span class="m_-4653544547642294025Apple-tab-span" style="white-space:pre-wrap">
</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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<span style="font-size:16pt;font-family:Mistral" class="">Pascal Boulet</span></div>
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<div class=""><font face="verdana" class=""><span style="font-size:12px;line-height:22px" class="">Email : </span></font><a href="mailto:pascal.boulet@univ-amu.fr" style="color:rgb(34,187,234);letter-spacing:normal;text-transform:none;white-space:normal;word-spacing:0px;font-family:verdana;font-size:12px;line-height:20px;text-decoration:none" target="_blank" class="">pascal.boulet@univ-<wbr class="">amu.fr</a></div>
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</blockquote></div><br class=""><br clear="all" class=""><div class=""><br class=""></div>-- <br class=""><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><span style="font-size:12.8px" class="">Professor Laurence Marks</span><br class=""></div><div dir="ltr" class=""><span style="font-size:12.8px" class="">"Research is to see what everybody else has seen, and to think what nobody else has thought", </span><span style="font-size:12.8px" class="">Albert Szent-Gyorgi</span><br class=""><a href="http://www.numis.northwestern.edu/" target="_blank" class="">www.numis.northwestern.edu</a> ; <span style="font-size:12.8px" class="">Corrosion in 4D: </span><a href="http://muri4d.numis.northwestern.edu/" style="font-size:12.8px" target="_blank" class="">MURI4D.numis.northwestern.edu</a><div class=""><span style="font-size:12.8px" class="">Partner of the CFW 100% program for gender equity, </span><a href="http://www.cfw.org/100-percent" style="font-size:12.8px" target="_blank" class="">www.cfw.org/100-percent</a></div><div class="">Co-Editor, Acta Cryst A</div></div></div></div></div></div></div></div></div></div></div>
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