[Wien] error in lapw2 - parallel

[Peter Blaha]

My guess:

Since this is such a short test calculation for a parallel run, the NFS
might not have written all necessary files ??

Does the error occur in a sequential run ?

or if you use only   2 parallel jobs ??

ls -als *error        which error files are not empty ??

cat *.error   (without space !)

On 03/22/2013 07:49 AM, Gavin Abo wrote:
> First, you entered the command incorrectly.  There should be no space
> between the '*' and '.error'.  However, your lapw2 error files still
> seem to be empty.
>
> Second, did you compile Wien2k with -traceback in the Compiler options
> line?  If not, you need to add it, recompile, and run the scf again to
> try to get more information on why lapw2 crashed.
>
> On 3/22/2013 12:35 AM, Mathrubutham Rajagopalan wrote:
>> Dear Dr Gavin
>>
>> raja at ubuntu://home/raja/work/Cu$ cat lapw2* .error
>>  2,'Cu.nsh',    'unknown','formatted',0
>>  3,'Cu.in1',   'unknown','formatted',0
>>  4,'Cu.inso',           'unknown','formatted',0
>>  5,'Cu.in2',   'old',    'formatted',0
>>  6,'Cu.output2','unknown','formatted',0
>>  7,'Cu.vorb','unknown','formatted',0
>>  8,'Cu.clmval','unknown','formatted',0
>> 10,'./Cu.vector', 'unknown','unformatted',9000
>> 11,'Cu.weight',    'unknown','formatted',0
>> 13,'Cu.recprlist',      'unknown','unformatted',9000
>> 14,'Cu.kgen',        'unknown','formatted',0
>> 15,'Cu.tmp',       'unknown','unformatted',0
>> 16,'Cu.qtl',       'unknown','formatted',0
>> 17,'Cu.weightaver','unknown','formatted',0
>> 18,'Cu.vsp',       'old',    'formatted',0
>> 19,'Cu.vns',       'unknown','formatted',0
>> 20,'Cu.struct',         'old',    'formatted',0
>> 21,'Cu.scf2','unknown','formatted',0
>> 22,'Cu.rotlm',   'unknown',    'formatted',0
>> 23,'Cu.radwf',   'unknown',    'formatted',0
>> 26,'Cu.weigh',   'unknown','unformatted',0
>> 27,'Cu.weighdn',   'unknown','unformatted',0
>> 29,'Cu.energydn','unknown','formatted',0
>> 30,'Cu.energy', 'unknown','formatted',0
>> 32,'Cu.qdmft',   'unknown',    'formatted',0
>> 34,'Cu.oubwin',   'unknown',    'formatted',0
>> 231,'Cu.dmftsym',   'unknown',    'formatted',0
>> cat: .error: No such file or directory
>> raja at ubuntu://home/raja/work/Cu$
>>
>> This is the error
>>
>> Raja
>>
>> On Fri, Mar 22, 2013 at 11:56 AM, Gavin Abo <gsabo at crimson.ua.edu
>> <mailto:gsabo at crimson.ua.edu>> wrote:
>>
>>     What is the error in lapw2?
>>
>>     The following command in a terminal while in the case directory
>>     might give you more information on the cause of the error:
>>
>>     cat lapw2*.error
>>
>>
>>     On 3/22/2013 12:03 AM, Mathrubutham Rajagopalan wrote:
>>>     Dear developers and users,
>>>
>>>     Greetings!
>>>     Recently we installed recent Wien2k version with ubuntu OS in Dell server
>>>     It is running without any problem.
>>>
>>>     We have done the k-point parallelization.But it gives the following error in lapw2.
>>>     we will be thankful to you if you can suggest how to overcome this
>>>
>>>     regards
>>>     raja
>>>
>>>
>>>     start 	(Mon Mar 24 11:23:08 IST 2003) with lapw0 (40/99 to go)
>>>
>>>          cycle 1 	(Mon Mar 24 11:23:08 IST 2003) 	(40/99 to go)
>>>
>>>     >   lapw0 -p	(11:23:08) starting parallel lapw0 at Mon Mar 24 11:23:08 IST 2003
>>>     -------- .machine0 : processors
>>>     running lapw0 in single mode
>>>     1.5u 0.1s 0:01.73 97.6% 0+0k 0+464io 0pf+0w
>>>     >   lapw1  -p   -c	(11:23:10) starting parallel lapw1 at Mon Mar 24 11:23:10 IST 2003
>>>     ->  starting parallel LAPW1 jobs at Mon Mar 24 11:23:10 IST 2003
>>>     running LAPW1 in parallel mode (using .machines)
>>>     4 number_of_parallel_jobs
>>>           ubuntu(11)      ubuntu(11)      ubuntu(11)      ubuntu(11)      ubuntu(1)      ubuntu(1)      ubuntu(1)    Summary of lapw1para:
>>>         ubuntu	 k=11	 user=0	 wallclock=11
>>>     0.0u 0.0s 0:02.29 5.2% 0+0k 0+2040io 0pf+0w
>>>     >   lapw2 -p   -c 	(11:23:12) running LAPW2 in parallel mode
>>>     **  LAPW2 crashed!
>>>     0.0u 0.0s 0:00.11 45.4% 0+0k 0+184io 0pf+0w
>>>     error: command   /home/raja/wien2k/lapw2cpara -c lapw2.def   failed
>>>
>>>     >   stop error
>>>
>>>     --
>>>     */
>>>     Dr M.Rajagopalan
>>>     Emeritus Scientist (CSIR)
>>>     Crystal Growth Center                20 6th Main Road
>>>     Anna University Chromepet
>>>     Chennai 600 025 Chennai 600 044
>>>     Phone #  22213023 (R)
>>>              22359208 (O)
>>>     Mobile  9445125709
>>>
>>>     /*
>>
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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