[Wien] error in lapw2 - parallel

[Mathrubutham Rajagopalan]

Dear Dr Gavin

Thanks for the response
The error file is empty
I included the -traceback option

current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3
-traceback
current:LDFLAGS:$(FOPT) -L/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64
-pthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread
-lmkl_core -openmp -lpthread
current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64
-L/opt/local/fftw3/lib/ -lfftw3_mpi -lfftw3 $(R_LIBS)
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
Kindly suggest

regards

Raja

On Fri, Mar 22, 2013 at 12:19 PM, Gavin Abo <gsabo at crimson.ua.edu> 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> 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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>


-- 
*
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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