[Wien] MPI problem for LAPW2

[Peter Blaha]

Very unusual, I cannot believe that 3 or 7 nodes run efficiently (lapw1) or
are necessary.
Maybe memory is an issue and you should try to set

lapw2_vector_split:2

(with a even number of processors!)

> I can run mpi with lapw0, lapw1, and lapw2. However, lapw2 can run 
> without problem with certain number of PROCESSORS PER MPI JOB (in both 
> cases: fully mpi and/or hybrid k-parallel+mpi). Those certain numbers 
> are 3 and 7. If I try to run with other numbers of PROCESSORS PER MPI 
> JOB, it gives me an message like below. This problem doesn't occur with 
> lapw0 and lapw1. If any of you could give me some suggestion of fixing 
> this problem, it would be appreciated.
> 
> [compute-0-2.local:08162] *** An error occurred in MPI_Comm_split
> [compute-0-2.local:08162] *** on communicator MPI_COMM_WORLD
> [compute-0-2.local:08162] *** MPI_ERR_ARG: invalid argument of some 
> other kind
> [compute-0-2.local:08162] *** MPI_ERRORS_ARE_FATAL (goodbye)
> forrtl: error (78): process killed (SIGTERM)
> Image              PC                Routine            Line        
> Source     
>       
> libpthread.so.0    000000383440DE80  Unknown               Unknown  Unknown
> ........... etc....
> 
> 
> Reference:
> OPTIONS file:
> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
> current:FPOPT:$(FOPT)
> current:LDFLAGS:$(FOPT) -L/share/apps/fftw-3.2.1/lib/ -lfftw3 
> -L/share/apps/inte
> l/mkl/10.0.011/lib/em64t -i-static -openmp
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lmkl_lapack -lmkl_core -lmkl_em64t -lguide -lpthread
> current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64_sequential 
> -Wl,--start-gr
> oup -lmkl_intel_lp64 -lmkl_sequential -lmkl_core 
> -lmkl_blacs_openmpi_lp64 -Wl,--
> end-group -lpthread -lmkl_em64t -L/share/apps/intel/fce/10.1.008/lib -limf
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
> 
> Openmpi 1.2.6
> Intel compiler 10
> 
> .machines
> lapw0:compute-0-2:4
> 1:compute-0-2:4
> granularity:1
> extrafine:1
> lapw2_vector_split:1
> 
> --------------------------------------------------
> Duy Le
> PhD Student
> Department of Physics
> University of Central Florida.
> 
> 
> ------------------------------------------------------------------------
> 
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> 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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