[Wien] Print plane wave coefficients flom LAPW1 with -p option

Oleg Rubel orubel at lakeheadu.ca
Wed Jan 8 16:54:50 CET 2014


Dear Elias,

thank you for confirming the error. Now I know that it is not specific
to my compilation. Gavin emailed me that the problem might be related
to MKL. I wonder whether what is your version of MKL? Is it older than
10.3?

I will recompile lapw1 with some checkpoints and hope to gain more insight.

Best regards
Oleg


On Wed, Jan 8, 2014 at 4:33 AM, Elias Assmann <elias.assmann at gmail.com> wrote:
> On 01/08/2014 01:20 AM, Oleg Rubel wrote:
>>
>> I wonder if anybody can reproduce this error?
>
>
> I can.  I used only MPI-parallelism:
>
> $ cat .machines
> 1: localhost localhost
>
> $ x lapw1 -up -p
> w2k_dispatch_signal(): received: Segmentation fault
>
> $ cat uplapw1.error
> **  Error in Parallel LAPW1
> **  LAPW1 STOPPED at Wed Jan 8 10:26:39 CET 2014
> **  check ERROR FILES!
> Error in LAPW1
>  'Unknow' - Process termination signal received
>
>
>> Wien2k v13.1; Intel Fortran v11.0.074; MKL v10.1.0.015; MVAPICH2
>
>
> $ cat $WIENROOT/VERSION
> WIEN2k_13.1 (Release 17/6/2013)
>
> `cat $WIENROOT/COMPILER` -V
> Intel(R) Fortran Intel(R) 64 Compiler Professional for applications running
> on Intel(R) 64, Version 11.1    Build 20090630 Package ID:
> l_cprof_p_11.1.046
>
> with Open MPI 1.4.4
>
>
> HTH,
>
>         Elias
>
>
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