Dear Wien2kers,<br><br>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. <br>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.<br><br>[compute-0-2.local:08162] *** An error occurred in MPI_Comm_split<br>[compute-0-2.local:08162] *** on communicator MPI_COMM_WORLD<br>[compute-0-2.local:08162] *** MPI_ERR_ARG: invalid argument of some other kind<br>
[compute-0-2.local:08162] *** MPI_ERRORS_ARE_FATAL (goodbye)<br>forrtl: error (78): process killed (SIGTERM)<br>Image PC Routine Line Source <br> <br>libpthread.so.0 000000383440DE80 Unknown Unknown Unknown<br>
........... etc....<br><br><br>Reference:<br>OPTIONS file:<br>current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback<br>current:FPOPT:$(FOPT)<br>current:LDFLAGS:$(FOPT) -L/share/apps/fftw-3.2.1/lib/ -lfftw3 -L/share/apps/inte<br>
l/mkl/10.0.011/lib/em64t -i-static -openmp<br>current:DPARALLEL:'-DParallel'<br>current:R_LIBS:-lmkl_lapack -lmkl_core -lmkl_em64t -lguide -lpthread<br>current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64_sequential -Wl,--start-gr<br>
oup -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_openmpi_lp64 -Wl,--<br>end-group -lpthread -lmkl_em64t -L/share/apps/intel/fce/10.1.008/lib -limf<br>current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_<br>
<br>Openmpi 1.2.6<br>Intel compiler 10<br><br>.machines<br>lapw0:compute-0-2:4<br>1:compute-0-2:4<br>granularity:1<br>extrafine:1<br>lapw2_vector_split:1<br><br>--------------------------------------------------<br>Duy Le<br>
PhD Student<br>Department of Physics<br>University of Central Florida.<br>