[Wien] MPI problem for LAPW2

[Robert Laskowski]

Hi,
we would need more information to help you. For example .machines, number of atoms, matrix size ...

regards

Robert

On Wednesday 30 September 2009 03:09:22 Duy Le wrote:
> Dear Wien2kers,
> 
> I managed successfully k-parallel. I have now to deal with a very big system
> that definitely needs fully mpi wien2k. The compilation was successful.
> 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.
> 



-- 
Dr Robert Laskowski

Vienna University of Technology, 
Institute of Materials Chemistry, 
Getreidemarkt 9/165-TC, A-1060 Vienna

tel. +43 1 58801 15686
Fax  +43 1 58801 15698