You may have noted that lapw0 did not run in parallel. Guess why ? the line LAPW0:dft2 is not correct.
PS: We need more info for better help. PPS: If you have only ONE 2-core machines or your network is slow (Gbit) the mpi-parallel version is useless. Use k-parallelism. Check the UG. Am 11.01.2011 12:04, schrieb lagoun brahim: > Dear Prof. Blaha and Wien2k users > i have compiling the parallel part of wien2k_09.2 but when i run the run_lapw > comande i get this message any suggestion and help please > i have a duelcore proce with opensuse 10.3 64bits, fortran compiler ifort, c > compiler icc +mkl libraries and mpich2 configured with (hydra) > here is my configuration and machines file > configuration: > O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML > -traceback > L Linker Flags: -L/opt/intel/Compiler/11.1/072/lib/intel64 -pthread -i-static > P Preprocessor flags '-DParallel' > R R_LIB (LAPACK+BLAS): -L/home/MKLlibraries/lib/em64t -lmkl_lapack > -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lguide -lpthread > > RP RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_blacs_lp64 > -L/usr/local/lib/ -lfftw_mpi -lfftw $(R_LIBS) > FP FPOPT(par.comp.options): $(FOPT) > MP MPIRUN commando : mpiexec -np _NP_ -machinefile _HOSTS_ _EXEC_ > machinefile > > 1:dft2:2 > LAPW0:dft2 > granularity:1 > extrafine:1 > > > error message > > run_lapw -p -ec 0.01 > LAPW0 END > @: Expression Syntax. > > > stop error > > and thanks in advance > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------
