How many cores do you have, and what version of mpi are you using? Running mpi with only 3 processes on one machine is almost certainly not going to be efficient and for that just stay with non-mpi. With a dual quadcore (8 cores) or more it can be, provided that the mpi version you use optimizes well.
N.B., for mpi you want OMP_NUM_THREADS=1, threads and mpi conflict. On Thu, Apr 26, 2012 at 11:11 AM, jam <hassan.jamnejad at gmail.com> wrote: > 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 > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi
