[Wien] error in lapw2 - parallel
Peter Blaha
pblaha at theochem.tuwien.ac.at
Fri Mar 22 08:40:57 CET 2013
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>> 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>
> Email: blaha at theochem.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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--
P.Blaha
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