dear all recently I switch to MPI parallel execution.I compile the scalapack.2.0.1 and GotoBLAS2 and recompiled wien2k sources.bellow you will see the compiler option which I set for compiling the wien2k.
Current settings: O Compiler options: -ffree-form -O2 -ffree-line-length-none L Linker Flags: $(FOPT) -L/home/GotoBLAS2 -lpthread P Preprocessor flags '-DParallel' R R_LIB (LAPACK+BLAS): -lgoto2 -lpthread Current parallel compilation option settings: RP RP_LIB(SCALAPACK+PBLAS): -lgoto2 -L/home/scalapack -lscalapack -lmpi -ldfftw_mpi -ldfftw FP FPOPT(par.comp.options): -ffree-form -O2 MP MPIRUN commando : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ unfortunately upon execution on the same test case file the cycles execution fall in long time execution on lapw1para. the .machines file is as bellow too: 1:localhost:3 granularity:1 extrafine:1 also I have set OMP_NUM_THREADS to 4 in .bashrc and the OS istalled on the machine is openSUSE-11.4. I would appreciate if anyone can help me on the issue. kind regard hassan