[Wien] error in lapw2 - parallel

Mathrubutham Rajagopalan mraja1948 at gmail.com
Fri Mar 22 08:43:41 CET 2013


Dear Dr Peter

This is the error message

raja at ubuntu://home/raja/work/Cu$ x lapw2 -p
running LAPW2 in parallel mode
FERMI - Error
cp: cannot stat `.in.tmp': No such file or directory
**  LAPW2 crashed!
0.0u 0.0s 0:00.10 40.0% 0+0k 0+184io 0pf+0w
error: command   /home/raja/wien2k/lapw2para lapw2.def   failed
raja at ubuntu://home/raja/work/Cu$
Raja

On Fri, Mar 22, 2013 at 1:10 PM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> You do not even have   lapw2*.error  files (which should exist and be
> empty).
>
> What happens if you run:    x lapw2 -p    in a terminal ??
>
>
> On 03/22/2013 08:35 AM, Mathrubutham Rajagopalan wrote:
>
>> Dear Dr Peter,
>>
>> Thanks for the response
>>
>> The error does not occur in sequential run
>>
>> we have 8 processor But I used only four
>>
>> I opened the following files All are empty
>>
>>   dstart.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw0.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_1.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_2.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_3.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_4.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_5.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_6.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_7.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:55 lcore.error
>> 8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:55 mixer.error
>>
>> With out parallel the job runs without  any error
>>
>> Just now I tried to run Co2FeSi
>> Again I got the same error
>>
>> Regards
>> Raja
>>
>> On Fri, Mar 22, 2013 at 12:45 PM, Peter Blaha
>> <pblaha at theochem.tuwien.ac.at <mailto:pblaha at theochem.**tuwien.ac.at<pblaha at theochem.tuwien.ac.at>>>
>> wrote:
>>
>>     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>
>>             <mailto: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
>>     ------------------------------**__----------------------------**
>> --__--------------
>>
>>     Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>>     Phone: +43-1-58801-165300 <tel:%2B43-1-58801-165300>
>>     FAX: +43-1-58801-165982 <tel:%2B43-1-58801-165982>
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>>     <mailto:blaha at theochem.tuwien.**ac.at <blaha at theochem.tuwien.ac.at>>
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>> >
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>> >
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>>
>>
>>
>>
>> --
>> */
>> 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
> ------------------------------**------------------------------**
> --------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/**
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-- 
*
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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