[Wien] parallel

Laurence Marks L-marks at northwestern.edu
Tue Jan 11 19:33:30 CET 2011


I suspect that you are compiling with a mpif90 version that was compiled
with a different compiler or similar, this is 99.99% an mpi issue. (From a
quick google of your problem, which you can do as well, things like an
incompatible mpi.h can cause this.) Check how your mpi was compiled, try
some of the simple mpi tests?

2011/1/11 lagoun brahim <lag17_brahim at yahoo.fr>

> thank you very much Prof. Blaha for your reply
> we have a work station with 2x quad Xeon (8processeures) but I wanted to
> test a parallel in a duelcore
> I deleted the line LAPW0: dft2
> and I ran run_lapw -p and got the following error message:
> LAPW0 END
> Fatal error in MPI_Comm_size: Invalid communicator, error stack:
> MPI_Comm_size(111): MPI_Comm_size(comm=0x5b, size=0x8d9d6c) failed
> MPI_Comm_size(69).: Invalid communicator
> cat: No match.
> i dont now where is the problem
> and thanks in advance
>
> --- En date de : *Mar 11.1.11, Peter Blaha <pblaha at theochem.tuwien.ac.at>*a écrit :
>
>
> De: Peter Blaha <pblaha at theochem.tuwien.ac.at>
> Objet: Re: [Wien] parallel
> À: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
> Date: Mardi 11 janvier 2011, 15h47
>
> You may have noted that   lapw0 did not run in parallel.
>
> Guess why ?  the line     LAPW0:dft2    is not correct.
>
> PS: We need more info for better help.
>
> PPS: If you have only ONE 2-core machines or your network is slow (Gbit)
> the mpi-parallel version is useless.
>
> Use k-parallelism. Check the UG.
>
> Am 11.01.2011 12:04, schrieb lagoun brahim:
> > Dear Prof. Blaha and Wien2k users
> > i have compiling the parallel part of wien2k_09.2 but when i run the
> run_lapw comande i get this message any suggestion and help please
> > i have a duelcore proce with opensuse 10.3 64bits, fortran compiler
> ifort, c compiler icc +mkl libraries and mpich2 configured with (hydra)
> > here is my configuration and machines file
> > configuration:
> > O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML
> -traceback
> > L Linker Flags: -L/opt/intel/Compiler/11.1/072/lib/intel64 -pthread
> -i-static
> > P Preprocessor flags '-DParallel'
> > R R_LIB (LAPACK+BLAS): -L/home/MKLlibraries/lib/em64t -lmkl_lapack
> -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lguide -lpthread
> >
> > RP RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_blacs_lp64
> -L/usr/local/lib/ -lfftw_mpi -lfftw $(R_LIBS)
> > FP FPOPT(par.comp.options): $(FOPT)
> > MP MPIRUN commando : mpiexec -np _NP_ -machinefile _HOSTS_ _EXEC_
> > machinefile
> >
> > 1:dft2:2
> > LAPW0:dft2
> > granularity:1
> > extrafine:1
> >
> >
> > error message
> >
> > run_lapw -p -ec 0.01
> > LAPW0 END
> > @: Expression Syntax.
> >
> >  > stop error
> >
> > and thanks in advance
> >
> >
> >
> >
> > _______________________________________________
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>
> --
>
>                                        P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at<http://mc/compose?to=blaha@theochem.tuwien.ac.at>
>   WWW: http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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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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