Static (not status) -- Android autocorrect error. --- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University http://www.numis.northwestern.edu Corrosion in 4D http://MURI4D.numis.northwestern.edu Co-Editor, Acta Cryst A "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi On Aug 24, 2015 06:19, "Laurence Marks" <l-ma...@northwestern.edu> wrote:
> As the error states, on one or more of the computers the path to the fftw3 > library is not known. This is a standard problem in openmpi. It does not > fully export your environment for you, so just because the path and shared > libraries are found when you source the compiler scripts does not mean they > are when the program executes. > > Check your LD_LIBRARY_PATH & edit parallel_options such that WIEN_MPIRUN > exports it for you, looking at the MPIRUN man page (e.g. > https://www.open-mpi.org/doc/v1.8/man1/mpirun.1.php). > > Alternatively use status linking for the fftw3 libraries. > > --- > Professor Laurence Marks > Department of Materials Science and Engineering > Northwestern University > http://www.numis.northwestern.edu > Corrosion in 4D http://MURI4D.numis.northwestern.edu > Co-Editor, Acta Cryst A > "Research is to see what everybody else has seen, and to think what nobody > else has thought" > Albert Szent-Gyorgi > On Aug 24, 2015 00:48, "venkatesh chandragiri" <venkyphysicsi...@gmail.com> > wrote: > >> Dear Wien2k users, >> >> Recently, I have installed Wien2K_13.1 program in my SMP, having 12 >> threads. I have run serial calculations without giving an error with this >> PC. Now, I want to implement parallel calculations and installed >> 'fftw-3.3.4', 'l_mpi_p_5.1.0.038' and 'openmpi-1.8.8'. Although, the >> re-installation of Wien2k with parallel option does not give any errors, I >> am getting error while running "lapw0_mpi" (in volume optimization >> process). These errors are >> >> =============================== >> >> clmextrapol_lapw has generated a new >> Gd3Mn2vol.clmdn >> >> /opt/intel/composerxe-2011.3.174/mkl/bin/mklvars.sh/hup: >> Not a directory. >> >> /home/shuvra/wien2k/lapw0_mpi: error while >> loading shared libraries: libfftw3_mpi.so.3: cannot open shared >> object file: No such file or directory >> >> /home/shuvra/wien2k/lapw0_mpi: error while >> loading shared libraries: libfftw3_mpi.so.3: cannot open shared >> object file: No such file or directory >> >> /home/shuvra/wien2k/lapw0_mpi: error while >> loading shared libraries: libfftw3_mpi.so.3: cannot open shared >> object file: No such file or directory >> >> /home/shuvra/wien2k/lapw0_mpi: error while >> loading shared libraries: libfftw3_mpi.so.3: cannot open shared >> object file: No such file or directory >> >> /home/shuvra/wien2k/lapw0_mpi: error while >> loading shared libraries: libfftw3_mpi.so.3: cannot open shared >> object file: No such file or directory >> >> >> > stop error >> >> ERROR status in >> Gd3Mn2vol_vol__-8.0 >> >> ============================================= >> >> However, >> >> libfftw3_mpi.so.3 file is present the in the respective path and >> >> wien2k unable to locate it..? >> >> these are the setting of the parallelization >> >> ========================= >> Current settings: >> >> FFTW_LIB + FFTW_OPT : -lfftw3_mpi -lfftw3 -L/home/shuvra/fftw334/lib + >> -DFFTW3 -I/home/shuvra/fftw334/include (already set) >> >> RP RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_solver_lp64 >> -lmkl_blacs_lp64 $(R_LIBS) >> >> FP FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip >> -DINTEL_VML -traceback >> >> MP MPIRUN commando : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ >> >> >> ========================================================= >> >> Kindly, help me >> >> thanking you >> >> Best regards, >> >> venkatesh >> >>
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