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

[Robert Laskowski]

Hi,

print option for lapw1 was never meant to work with mpi. 
Why would you want to print such huge Hamiltonians in ascii.


regards

Robert

On 08 January 2014 PM 11:54:50 Oleg Rubel wrote:
> 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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-- 
==================================================
Dr. Robert Laskowski

Senior Scientist, Materials Science & Engineering Department
Institute of High Performance Computing, A*STAR
1 Fusionopolis Way, #16-16, Connexis, Singapore 138632
Tel(Off): +65. 64191493 Fax: +65. 64632536
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