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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