[Wien] 'libfftw3_mpi.so.3' is not found

[Laurence Marks]

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" <venkyphysicsiitm at 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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