<div>Thanks, Prof. Peter,</div>
<div>You can see that LAPW1 was performed in parallel,&nbsp; do you think something wrong about the .machines file?</div>
<div>Anyway, I&nbsp;changed the machine names in .machines with real name (we have quadruple cpu nodes), and the same error occurred again.</div>
<div>Anyother suggestions?<br>&nbsp;</div>
<div>&nbsp;</div>
<div><span class="gmail_quote">2006/10/31, Peter Blaha &lt;<a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>&gt;:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Use the &quot;real&quot; machine names in .machines, not just &quot;localhost&quot;<br><br>and most likely it should be DIFFERENT names (except when you have dual
<br>core/cpu nodes)<br><br><br>&gt; 1:localhost<br><br>ARIN CHURCH schrieb:<br>&gt; Dear wien2k users,<br>&gt; Recently I ran a k-point parallel calculation on our clusters (with the<br>&gt; latest wien version, turbo Linux, operton ).
<br>&gt; However, after init_lapw, error occured in lapw2:<br>&gt;<br>&gt;&nbsp;&nbsp;&gt;&nbsp;&nbsp; lapw2 -c&nbsp;&nbsp;-p&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;(22:29:16) running LAPW2 in parallel mode<br>&gt; **&nbsp;&nbsp;LAPW2 crashed!<br>&gt; 0.920u 0.890s 0:06.69 27.0%&nbsp;&nbsp;&nbsp;&nbsp; 0+0k 0+0io 23319pf+0w
<br>&gt; error: command&nbsp;&nbsp; /wien2k/lapw2cpara -c lapw2.def&nbsp;&nbsp;&nbsp;&nbsp;failed<br>&gt; .......<br>&gt; .......<br>&gt;&nbsp;&nbsp;LAPW0 END<br>&gt;&nbsp;&nbsp;LAPW1 END<br>&gt;&nbsp;&nbsp;LAPW1 END<br>&gt;&nbsp;&nbsp;LAPW1 END<br>&gt;&nbsp;&nbsp;LAPW1 END<br>&gt;&nbsp;&nbsp;LAPW1 END<br>&gt; LAPW2 - FERMI; weighs written
<br>&gt; cp: cannot stat `.in.tmp': No such file or directory<br>&gt; rm: cannot remove `.in.tmp': No such file or directory<br>&gt; rm: cannot remove `.in.tmp1': No such file or directory<br>&gt;<br>&gt;<br>&gt; I noticed that there were some similar errors in former maillist, but I
<br>&gt; can't find a solution.<br>&gt;<br>&gt; I checked the lapw2.error file, which gave me little information:<br>&gt;<br>&gt; **&nbsp;&nbsp;testerror: Error in Parallel LAPW2<br>&gt;<br>&gt; This is the lapw2.def,&nbsp;&nbsp;I can't find any problem:
<br>&gt;<br>&gt;&nbsp;&nbsp;2,'NCT.nsh',&nbsp;&nbsp;&nbsp;&nbsp;'unknown','formatted',0<br>&gt;&nbsp;&nbsp;3,'NCT.in1c',&nbsp;&nbsp; 'unknown','formatted',0<br>&gt;&nbsp;&nbsp;4,'NCT.inso',&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 'unknown','formatted',0<br>&gt;&nbsp;&nbsp;5,'NCT.in2c',&nbsp;&nbsp; 'old',&nbsp;&nbsp;&nbsp;&nbsp;'formatted',0<br>&gt;&nbsp;&nbsp;6,'
NCT.output2','unknown','formatted',0<br>&gt;&nbsp;&nbsp;8,'NCT.clmval','unknown','formatted',0<br>&gt; 10,'./NCT.vector', 'unknown','unformatted',9000<br>&gt; 11,'NCT.weight',&nbsp;&nbsp;&nbsp;&nbsp;'unknown','formatted',0<br>&gt; 13,'NCT.recprlist',&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;'unknown','unformatted',9000
<br>&gt; 14,'NCT.kgen',&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;'unknown','formatted',0<br>&gt; 15,'NCT.tmp',&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 'unknown','formatted',0<br>&gt; 16,'NCT.qtl',&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 'unknown','formatted',0<br>&gt; 17,'NCT.weightaver','unknown','formatted',0<br>&gt; 18,'
NCT.vsp',&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 'old',&nbsp;&nbsp;&nbsp;&nbsp;'formatted',0<br>&gt; 19,'NCT.vns',&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 'unknown','formatted',0<br>&gt; 20,'NCT.struct',&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 'old',&nbsp;&nbsp;&nbsp;&nbsp;'formatted',0<br>&gt; 21,'NCT.scf2',&nbsp;&nbsp; 'unknown','formatted',0<br>&gt; 22,'NCT.rotlm',&nbsp;&nbsp; 'unknown',&nbsp;&nbsp;&nbsp;&nbsp;'formatted',0
<br>&gt; 23,'NCT.radwf',&nbsp;&nbsp; 'unknown',&nbsp;&nbsp;&nbsp;&nbsp;'formatted',0<br>&gt; 24,'NCT.almblm',&nbsp;&nbsp; 'unknown',&nbsp;&nbsp;&nbsp;&nbsp;'formatted',0<br>&gt; 26,'NCT.weigh',&nbsp;&nbsp; 'unknown','unformatted',0<br>&gt; 27,'NCT.weighdn',&nbsp;&nbsp; 'unknown','unformatted',0<br>&gt; 28,'
NCT.vrespval',&nbsp;&nbsp; 'unknown','formatted',0<br>&gt; 29,'NCT.energydn','unknown','formatted',0<br>&gt; 30,'NCT.energy', 'unknown','formatted',0<br>&gt; 31,'./NCT.help', 'unknown','formatted',0<br>&gt;<br>&gt; I should note that I can run it in a non-parallel calculation!&nbsp;&nbsp;I thick
<br>&gt; it maybe a parallel problem, this is my machine file:<br>&gt;<br>&gt; 1:localhost<br>&gt; 1:localhost<br>&gt; 1:localhost<br>&gt; 1:localhost<br>&gt; granularity:1<br>&gt; extrafine<br>&gt;<br>&gt; Can anyone give me some suggestions????I appreciate your help!
<br>&gt;<br>&gt;<br>&gt;<br>&gt; Best regards!<br>&gt;<br>&gt;<br>&gt;<br>&gt;<br>&gt; ------------------------------------------------------------------------<br>&gt;<br>&gt; _______________________________________________
<br>&gt; Wien mailing list<br>&gt; <a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>&gt; <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
</a><br><br>--<br><br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;P.Blaha<br>--------------------------------------------------------------------------<br>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>Phone: +43-1-58801-15671&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; FAX: +43-1-58801-15698
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