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