[Wien] error in lapw2 - parallel
Peter Blaha
pblaha at theochem.tuwien.ac.at
Fri Mar 22 08:59:27 CET 2013
Not really. The -c switch is not mandatory and will be added
automatically if inversion is not present in newer wien2k versions.....
On 03/22/2013 08:54 AM, Gavin Abo wrote:
> Your first post has:
>
> > lapw2 -p -c (11:23:12) running
>
> I think you should have ran
>
> x lapw2 -p -c
>
> for a complex calculation
>
> On 3/22/2013 1:50 AM, Peter Blaha wrote:
>> Now you have an "error message" !!
>>
>> What is about ls-als *error and their contant ?
>>
>> cat *.scf1 are there eigenvalues printed ???
>>
>> cat *.in2 how does this file look like ?
>>
>> On 03/22/2013 08:43 AM, Mathrubutham Rajagopalan wrote:
>>> 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 <mailto: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>
>>> <mailto: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>>
>>> <mailto: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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>>>
>>>
>>>
>>>
>>>
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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>
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>>> <mailto:blaha at theochem.tuwien.ac.at>> WWW:
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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)
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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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>>> --
>>> */
>>> 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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>>
>
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--
P.Blaha
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