[Wien] Problem with parallel LAPW1

[Gavin Abo]

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!call W2kinit

in SRC_lapw1/lapw1.F (line 34 Wien2k 12.1) and recompile as was mentioned:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-August/017575.html

On 9/26/2012 10:03 AM, Reza Mahani wrote:
>
> Hi Prof Blaha and wien2k users,
>
> I have recently installed wien2k 12.1 without any errors and I was 
> running a test job with it inorder to check the parallel mode. It gave 
> me the following errors:
> dayfile content:
>
> Calculating GaAs in /lunarc/nobackup/users/reza/WIEN2k/test/GaAs
> on an010 with PID 21141
> using WIEN2k_12.1 (Release 22/7/2012) in 
> /lunarc/nobackup/users/reza/Wien2k_12.1
>
>
>     start       (Wed Sep 26 10:19:05 CEST 2012) with lapw0 (100/99 to go)
>
>     cycle 1     (Wed Sep 26 10:19:05 CEST 2012)         (100/99 to go)
>
> >   lapw0 -p    (10:19:05) starting parallel lapw0 at Wed Sep 26 10:19:06 CEST 2012
> -------- .machine0 : 8 processors
> 16.100u 2.127s 0:06.00 303.6%   0+0k 132168+24680io 202pf+0w
> >   lapw1  -c -up -p(10:19:12) starting parallel lapw1 at Wed Sep 26 10:19:12 CEST 2012
> ->  starting parallel LAPW1 jobs at Wed Sep 26 10:19:12 CEST 2012
> running LAPW1 in parallel mode (using .machines)
> 1 number_of_parallel_jobs
>      an010 an010 an010 an010 an010 an010 an010 an010(120)  Child 
> id           3 SIGSEGV, contact developers
>  Child id           0 SIGSEGV, contact developers
>  Child id           7 SIGSEGV, contact developers
>  Child id           1 SIGSEGV, contact developers
>  Child id           2 SIGSEGV, contact developers
>  Child id           6 SIGSEGV, contact developers
>  Child id           5 SIGSEGV, contact developers
>  Child id           4 SIGSEGV, contact developers
> 0.341u 0.463s 0:01.42 56.3%     0+0k 1976+5760io 47pf+0w
>    Summary of lapw1para:
>    an010         k=0 user=0  wallclock=0
> 0.423u 0.884s 0:03.75 34.6%     0+0k 2496+6152io 53pf+0w
> >   lapw1  -c -dn -p(10:19:16) starting parallel lapw1 at Wed Sep 26 10:19:16 CEST 2012
> ->  starting parallel LAPW1 jobs at Wed Sep 26 10:19:16 CEST 2012
> running LAPW1 in parallel mode (using .machines.help)
> 1 number_of_parallel_jobs
>      an010 an010 an010 an010 an010 an010 an010 an010(120)  Child 
> id           7 SIGSEGV, contact developers
>  Child id           2 SIGSEGV, contact developers
>  Child id           0 SIGSEGV, contact developers
>  Child id           4 SIGSEGV, contact developers
>  Child id           1 SIGSEGV, contact developers
>  Child id           6 SIGSEGV, contact developers
>  Child id           3 SIGSEGV, contact developers
>  Child id           5 SIGSEGV, contact developers
> 0.123u 0.130s 0:01.18 21.1%     0+0k 0+1448io 15pf+0w
>    Summary of lapw1para:
>    an010         k=0 user=0  wallclock=0
> 0.209u 0.545s 0:03.70 20.0%     0+0k 0+1832io 15pf+0w
> >   lapw2 -c -up  -p(10:19:20) running LAPW2 in parallel mode
> **  LAPW2 crashed!
>
>
>
> job.err content:
>
> LAPW0 END
>  LAPW0 END
> epl: Subscript out of range.
> w2k_dispatch_signal(): received: Segmentation fault
> w2k_dispatch_signal(): received: Segmentation fault
> w2k_dispatch_signal(): received: Segmentation fault
> w2k_dispatch_signal(): received: Segmentation fault
> w2k_dispatch_signal(): received: Segmentation fault
> w2k_dispatch_signal(): received: Segmentation fault
> w2k_dispatch_signal(): received: Segmentation fault
> w2k_dispatch_signal(): received: Segmentation fault
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 7 in communicator MPI_COMM_WORLD
> with errorcode 80.
>
> Could you please tell me what causes this problem?
>
> Regards
> Reza
>
>
>
>
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> Wien at zeus.theochem.tuwien.ac.at
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