[Wien] MPI segmentation fault

[Md. Fhokrul Islam]

Hi Marks,

    Thank you very much for your reply. I am using Wien2k_09.2 version and I have used the following
OPTIONS file for MPI compilation. I would like to mention that MPI works fine when I tested with an 8 atom
system.


current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
current:FPOPT:$(FOPT)
current:LDFLAGS:-L/sw/pkg/mkl/10.0/lib/em64t/
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lsvml -lpthread
current:RP_LIBS:-L/sw/pkg/mkl/10.0/lib/em64t/ -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -L/home/eishfh/fftw-2.1.5-gcc/lib -lfftw_mpi -lfftw -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lsvml -lpthread
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_


Thanks,
Fhokrul



> Date: Thu, 28 Jan 2010 07:16:37 -0600
> From: L-marks at northwestern.edu
> To: wien at zeus.theochem.tuwien.ac.at
> Subject: Re: [Wien] MPI segmentation fault
> 
> What version of mpi are you using -- please be specific including the release.
> 
> 2010/1/28 Md. Fhokrul Islam <fislam at hotmail.com>:
> > Dear Wien2k users,
> >
> >     I am trying to do a surface supercell calculation with 96 atoms (1
> > k-point) using MPI. I have
> > used 8 processors for this job but it crashes in 1st cycle with an error
> > message:
> >
> > mpirun noticed that process rank 7 with PID 6532 on node mn003.mpi exited on
> > signal 11 (Segmentation fault).
> >
> >    Since many of you have experience in running large systems with MPI, I am
> > wondering if
> > anyone can suggest me how to fix this problem.
> >
> >
> > Thanks,
> > Fhokrul
> >
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> >
> 
> 
> 
> -- 
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Chair, Commission on Electron Crystallography of IUCR
> www.numis.northwestern.edu/
> Electron crystallography is the branch of science that uses electron
> scattering and imaging to study the structure of matter.
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