[Wien] Problems with mpi for Wien12.1

[Paul Fons]

I compiled fftw3 using the Intel suite as well.  The appropriate line from config.log reads

./configure CC=icc F77=ifort MPICC=mpiicc --prefix=/opt/local --enable-mpi --enable-threads --prefix=/opt/local/fftw3

I note that the configuration file only calls for a mpicc compiler (and I used the Intel compiler) and not a fortran compiler.   The compiled code (mpi-bench does work fine with the Intel mpirun).


After commenting out the call W2kinit subroutine and recompiling lapw0 (via the siteconfig script), I attempted to run run_lapw in both serial and parallel forms as you can see below.  The serial form worked fine

Paul

matstud at ursa:~/WienDisk/Fons/GaAs> run_lapw
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 1 1 1

>   stop


matstud at ursa:~/WienDisk/Fons/GaAs> run_lapw -p
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred

>   stop error



On Aug 28, 2012, at 9:16 AM, Laurence Marks wrote:

> One suggestion: comment out the line towards the top of lapw0.F
> 
>      call W2kinit
> 
> You should get a more human readable error message.
> 
> As an addendum, was fftw3 compiled with mpiifort? I assume from your email that it was, just checking.
> 
> N.B., there is a small chance that this will hang your computer.
> 
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Dr. Paul Fons
Senior Research Scientist
Functional Nano-phase-change Research Team
Nanoelectronics Research Institute
National Institute for Advanced Industrial Science & Technology
METI

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email: paul-fons at aist.go.jp

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