[Wien] parallel

[lagoun brahim]

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
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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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    WWW: http://info.tuwien.ac.at/theochem/
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