[Wien] urgent help required

Gavin Abo gsabo at crimson.ua.edu
Mon Jan 30 09:31:53 CET 2012 

Dear Dr. Blaha or developers,

I got the case.vector file from Arqum.  When I do a single program run 
with the file on my Debian squeeze IFCE Update 8 AMD processor system, I 
get the "double free or corruption" error below.  If I do a single 
program lawp1, the case.vector file gets rewritten, then I can run lawp2 
without any problems on my system.

Arqum was using a Wien2k version 10, and the TiC example ran without any 
problems.  The only system condition that should have changed is the use 
of Wien2k version 11.  So it seems like there may be some new code in 
version 11 that his compiler does not handle in the same way.  So it 
seems that the compiler is making an executable that generates a bad 
case.vector file.  Any ideas on the possible cause in the code and a fix?

Commandline: x lapw2
Program input is: ""

*** glibc detected *** /home/gavin/WIEN2k/lapw2: double free or 
corruption (!prev): 0x0000000002a25660 ***
======= Backtrace: =========
/lib/libc.so.6(+0x71bd6)[0x2b4b3d7debd6]
/lib/libc.so.6(cfree+0x6c)[0x2b4b3d7e394c]
/home/gavin/WIEN2k/lapw2[0x4c52ec]
/home/gavin/WIEN2k/lapw2[0x40b266]
/home/gavin/WIEN2k/lapw2[0x46b823]
/home/gavin/WIEN2k/lapw2[0x474a48]
/home/gavin/WIEN2k/lapw2[0x403d6c]
/lib/libc.so.6(__libc_start_main+0xfd)[0x2b4b3d78bc8d]
/home/gavin/WIEN2k/lapw2[0x403c69]
======= Memory map: ========
...(long list of the memory map that I removed here)
Aborted
0.4u 0.0s 0:00.45 100.0% 0+0k 0+384io 0pf+0w
error: command   /home/gavin/WIEN2k/lapw2 lapw2.def   failed

Gavin

On 1/30/2012 1:45 AM, arqum hashmi wrote:
> 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 <mailto:Wien at zeus.theochem.tuwien.ac.at>
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> -- 
>
>                                       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 
> <mailto:blaha at theochem.tuwien.ac.at>    WWW: 
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
> _______________________________________________
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