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Dear Wien2k users,<br><br>
Could someone give us an advice on setting up parameters delay and
sleepy in lapw1/2para? What is the best value for these parameters?<br>
<br>
Our calculation crashed at LAPW1 with errors <br><br>
<pre>cycle 4
<x-tab> </x-tab>(Tue Apr
19 15:08:43 SGT 2005) <x-tab> </x-tab>(37/37 to go)
> lapw0
-p<x-tab> </x-tab>(15:08:43) starting parallel
lapw0 at Tue Apr 19 15:08:43 SGT 2005
--------
running lapw0 in single mode
8.560u 0.120s 0:08.73
99.4%<x-tab> </x-tab>0+0k 0+0io 2515pf+0w
> lapw1 -up -p
<x-tab> </x-tab>(15:08:52) starting parallel
lapw1 at Tue Apr 19 15:08:52 SGT 2005
-> starting parallel LAPW1 jobs at Tue Apr 19 15:08:52 SGT 2005
running LAPW1 in parallel mode (using .machines)
4 number_of_parallel_jobs
opto033(45)
opto033(45)
opto033(45) opto033(46)
Summary of lapw1para:
opto033<x-tab> </x-tab>
k=45<x-tab> </x-tab> user=0<x-tab> </x-tab>
wallclock=45
0.090u 0.200s 7:18.22
0.0%<x-tab> </x-tab>0+0k 0+0io
29908pf+0w
> lapw1 -dn -p
<x-tab> </x-tab>(15:16:11) starting parallel
lapw1 at Tue Apr 19 15:16:11 SGT 2005
-> starting parallel LAPW1 jobs at Tue Apr 19 15:16:11 SGT 2005
running LAPW1 in parallel mode (using .machines.help)
4 number_of_parallel_jobs
** LAPW1 crashed!
0.110u 0.240s 7:16.55
0.0%<x-tab> </x-tab>0+0k 0+0io
26223pf+0w
> stop error
</pre>the error appeared only in file: <br><br>
<a href="http://darwin:6500/util/edit.pl?SID=501065&file=/home1/mic/cc0501/khuong/CdCrO2-AFM/dnlapw1.error">
dnlapw1.error</a> <br>
<pre>lapw1.error:** Error in Parallel LAPW1
lapw1.error:** check ERROR FILES!
:parallel:** check ERROR FILES!
</i></pre>When we increase the delay =5, sleepy=10 in lapw1/2para
and number of k-points is smaller then SCF calculation can survive till
cycle 22. <br><br>
We notice here that everything is Ok with TiC and other simple materials.
But with materials that each SCF cycle taking more than 5 minutes then
Lapw1 will crash soon. <br><br>
Thanks for reading this. <br><br>
Regards,<br>
Khuong</body>
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