[Wien] urgent help required

[arqum hashmi]

Dear prof. P BLAHA,

yes this error is reproducible and again occured  when i run another   scf cycle.

lapw1.def gives this output 

4,'TiC.klist',          'unknown','formatted',0
 5,'TiC.in1',   'old',    'formatted',0
 6,'TiC.output1','unknown','formatted',0
10,'./TiC.vector', 'unknown','unformatted',9000
11,'TiC.energy', 'unknown','formatted',0
18,'TiC.vsp',       'old',    'formatted',0
19,'TiC.vns',       'unknown','formatted',0
20,'TiC.struct',         'old',    'formatted',0
21,'TiC.scf1',   'unknown','formatted',0
55,'TiC.vec',            'unknown','formatted',0
71,'TiC.nsh',    'unknown','formatted',0
200,'./TiC.storeHinv', 'replace','unformatted',9000


 lapw2.def give this 

2,'TiC.nsh',    'unknown','formatted',0
 3,'TiC.in1',   'unknown','formatted',0
 4,'TiC.inso',           'unknown','formatted',0
 5,'TiC.in2',   'old',    'formatted',0
 6,'TiC.output2','unknown','formatted',0
 7,'TiC.vorb','unknown','formatted',0
 8,'TiC.clmval','unknown','formatted',0
10,'./TiC.vector', 'unknown','unformatted',9000
11,'TiC.weight',    'unknown','formatted',0
13,'TiC.recprlist',      'unknown','unformatted',9000
14,'TiC.kgen',        'unknown','formatted',0
15,'TiC.tmp',       'unknown','unformatted',0
16,'TiC.qtl',       'unknown','formatted',0
17,'TiC.weightaver','unknown','formatted',0
18,'TiC.vsp',       'old',    'formatted',0
19,'TiC.vns',       'unknown','formatted',0
20,'TiC.struct',         'old',    'formatted',0
21,'TiC.scf2',   'unknown','formatted',0
22,'TiC.rotlm',   'unknown',    'formatted',0
23,'TiC.radwf',   'unknown',    'formatted',0
24,'TiC.almblm',   'unknown',    'formatted',0
26,'TiC.weigh',   'unknown','unformatted',0
27,'TiC.weighdn',   'unknown','unformatted',0
29,'TiC.energydn','unknown','formatted',0
30,'TiC.energy', 'unknown','formatted',0
32,'TiC.qdmft',   'unknown',    'formatted',0
34,'TiC.oubwin',   'unknown',    'formatted',0
231,'TiC.dmftsym',   'unknown',    'formatted',0
 
and also i have enough memory to work on wien2k.

now is this information is enough to solve that what is going wrong.

thanks and Regards


________________________________
 From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Sunday, January 29, 2012 11:28 PM
Subject: Re: [Wien] urgent help required
 
We need more information:

Is this error reproducible ? Does it occur again when you run another   scf cycle (run_lapw) ?

cat lapw1.def
cat lapw2.def

ls -alsrt *vector     (or if you are using $SCRATCH:   ls -alsrt $SCRATCH/*.vector )

do you have enough disk space ( df) ?


Am 30.01.2012 07:03, schrieb arqum hashmi:
>
>
> Dear wien2k users ,
> my system is Intel(R) Xeon(R) CPU E5440 @ 2.83GHz. i used suse linux.
> i used ifort compiler 10.1.008 and mkl library is 10.1.0.015.
> i installed the wien2k version 11 succesfully.
> after installing succesfully, i run the example of TiC. when i run the Scf cycle it gives this error below.
>
> LAPW0 END
>   LAPW1 END
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC        Routine            Line        Source
> lapw2              0812197B  Unknown               Unknown  Unknown
> lapw2              0809F9CF  read_vec_                  99  read_vec_tmp_.F
> lapw2              0807FB2E  l2main_                   632  l2main_tmp_.F
> lapw2              0809344B  MAIN__                    564  lapw2_tmp_.F
> lapw2              0804A491  Unknown               Unknown  Unknown
> libc.so.6          5620D8AC  Unknown               Unknown  Unknown
> lapw2              0804A3D1  Unknown               Unknown  Unknown
>
>>    stop error
>
> please tell me why this error occured and whats its solution. i will be very thankful to you.
> thanks and regards
> arqum hashmi
>
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
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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/theochem/
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