[Wien] problem in parallel calculations

Dear all, It has been almost 1 month since I have been tried to make parallel calculations. Im working on model : SUN Blade 6275 clusters Processor: Intel Xeon X5570 CPU/node : 8cpu Memory : 24GB/node, 3GB/core Network: Infiniband 40G 8X QDR Operation: Redhat Enterprise Linux 5.3 Job control :

[Wien] problem in parallel calculations

When you have very little experience, the first thing to do is: Forget mpi-parallelization (the problem is probably with scalapack (since lapw0_mpi seems to run in your second example) or simply try setting setenv MPI_REMOTE 0in $WIENROOT/parallel_options lets focus on sequential runs

[Wien] problem in parallel calculations

Several suggestions. a) limit yourself to just using 8 cores on 1 cpu, and something very simple such as TiC until that works. b) Just use simple commands such as x lapw0 -p until it works. c) You probably do not need all the additional parameters in your MPIRUN line, they should already be set at