[Wien] Re[wien] commlib error

[Laurence Marks]

Several issues:

a) Check the mpif90 command and see if it uses ifort. If it uses something
else you can have problems.
b) Check if your fftw was compiled using icc. There can be issues there.
c) Check the blacs you are using with the Intel link advisor
https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor .
Normally one uses a different version for openmpi.

---
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 Jul 11, 2015 01:16, "Imran Khan" <imrankhanswati80 at gmail.com> wrote:

>  Dear Prof. Blaha, *Lau*rence Marks,  and Gavin Abo,
> Thanks for your valuable suggestions, Currently I am working with your
> suggestions and I will let you inform if the problem is solved.
> For Prof. Laurence Marks:
> Sir these were my options during installation (k-point parallelization)
>  *System: linuxif111*
> *Wien Version: WIEN2k_14.2*
> f90 compiler: ifort and C compiler icc
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> * Current settings:  O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad
> -ip -DINTEL_VML -traceback  F FFTW options:  -DFFTW3
> -/applic/compilers/intel/11.1/mpi/openmpi/1.6.3/applib2/FFTW3/3.3.4/double/include
>  L   Linker Flags:            $(FOPT)
> -L/applic/compilers/intel/11.1/mkl/lib/em64t -pthread  P   Preprocessor
> flags       '-DParallel'  R   R_LIB (LAPACK+BLAS):     -lmkl_lapack
> -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide
>  FL  FFTW_LIBS:               -lfftw3_mpi -lfftw3
> -L/applic/compilers/intel/11.1/mpi/openmpi/1.6.3/applib2/FFTW3/3.3.4/double/lib
> parallel f90 compiler mpif90   FFTW3  FFTW_LIB + FFTW_OPT    : -lfftw3_mpi
> -lfftw3
> -L/applic/compilers/intel/11.1/mpi/openmpi/1.6.3/applib2/FFTW3/3.3.4/double/lib
>  +                    -DFFTW3
> -I/applic/compilers/intel/11.1/mpi/openmpi/1.6.3/applib2/FFTW3/3.3.4/double/include
> (already set)      RP  RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64
> -lmkl_solver_lp64 -lmkl_blacs_lp64 $(R_LIBS)      FP
>  FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> -Dmkl_scalapack -traceback      MP  MPIRUN commando        : mpirun -np
> _NP_ -machinefile _HOSTS_ _EXEC_ and this is my job script #!/bin/bash #$
> -V #$ -cwd #$ -N FM-Pr #$ -pe mpi_fu 47 #$ -q normal #$ -R yes #$ -l
> h_rt=48:00:00 echo "Got $NSLOTS slots." cat $TMPDIR/machines # enables
> $TMPDIR/rsh to catch rsh calls if available cd $SGE_O_WORKDIR rm -f
> .machines echo 'granularity:1' >>.machines echo 'extrafine:1' >>.machines
> i=1 while ((i <= NSLOTS)) do echo -n '1:' >>.machines head -n $i
> $TMPDIR/machines |tail -n 1 >> .machines ((i=i+1)) done runsp_lapw -p -orb
> -i 1000 -ec 0.0001 -cc 0.001 and sir I did some calculations for Monolayer
> phosphorene previously, but face no problem like this during that
> calculation. Best regards Imran khan *
>
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