[Wien] parallel

[Peter Blaha]

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
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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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