[Wien] ** testerror: Error in Parallel LAPW2

[Peter Blaha]

Use the "real" machine names in .machines, not just "localhost"

and most likely it should be DIFFERENT names (except when you have dual 
core/cpu nodes)


 > 1:localhost

ARIN CHURCH schrieb:
> Dear wien2k users,
> Recently I ran a k-point parallel calculation on our clusters (with the 
> latest wien version, turbo Linux, operton ).
> However, after init_lapw, error occured in lapw2:
>  
>  >   lapw2 -c  -p        (22:29:16) running LAPW2 in parallel mode
> **  LAPW2 crashed!
> 0.920u 0.890s 0:06.69 27.0%     0+0k 0+0io 23319pf+0w
> error: command   /wien2k/lapw2cpara -c lapw2.def    failed
> .......
> .......
>  LAPW0 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
> LAPW2 - FERMI; weighs written
> cp: cannot stat `.in.tmp': No such file or directory
> rm: cannot remove `.in.tmp': No such file or directory
> rm: cannot remove `.in.tmp1': No such file or directory
>  
>  
> I noticed that there were some similar errors in former maillist, but I 
> can't find a solution.
>  
> I checked the lapw2.error file, which gave me little information:
>  
> **  testerror: Error in Parallel LAPW2
>  
> This is the lapw2.def,  I can't find any problem:
>  
>  2,'NCT.nsh',    'unknown','formatted',0
>  3,'NCT.in1c',   'unknown','formatted',0
>  4,'NCT.inso',           'unknown','formatted',0
>  5,'NCT.in2c',   'old',    'formatted',0
>  6,'NCT.output2','unknown','formatted',0
>  8,'NCT.clmval','unknown','formatted',0
> 10,'./NCT.vector', 'unknown','unformatted',9000
> 11,'NCT.weight',    'unknown','formatted',0
> 13,'NCT.recprlist',      'unknown','unformatted',9000
> 14,'NCT.kgen',        'unknown','formatted',0
> 15,'NCT.tmp',       'unknown','formatted',0
> 16,'NCT.qtl',       'unknown','formatted',0
> 17,'NCT.weightaver','unknown','formatted',0
> 18,'NCT.vsp',       'old',    'formatted',0
> 19,'NCT.vns',       'unknown','formatted',0
> 20,'NCT.struct',         'old',    'formatted',0
> 21,'NCT.scf2',   'unknown','formatted',0
> 22,'NCT.rotlm',   'unknown',    'formatted',0
> 23,'NCT.radwf',   'unknown',    'formatted',0
> 24,'NCT.almblm',   'unknown',    'formatted',0
> 26,'NCT.weigh',   'unknown','unformatted',0
> 27,'NCT.weighdn',   'unknown','unformatted',0
> 28,'NCT.vrespval',   'unknown','formatted',0
> 29,'NCT.energydn','unknown','formatted',0
> 30,'NCT.energy', 'unknown','formatted',0
> 31,'./NCT.help', 'unknown','formatted',0
>  
> I should note that I can run it in a non-parallel calculation!  I thick 
> it maybe a parallel problem, this is my machine file:
>  
> 1:localhost
> 1:localhost
> 1:localhost
> 1:localhost
> granularity:1
> extrafine
>  
> Can anyone give me some suggestions????I appreciate your help!
>  
>  
>  
> Best regards!
>  
>  
> 
> 
> ------------------------------------------------------------------------
> 
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> Wien at zeus.theochem.tuwien.ac.at
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-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
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