[Wien] Trouble executing lapw1 (Cannot find libfftw.so.3)

[Laurence Marks]

By default openmpi does not export $LD_LIBRARY_PATH, so you need in
parallel options something like

setenv WIEN_MPIRUN "mpirun -x LD_LIBRARY_PATH -x PATH -np _NP_
-machinefile _HOSTS_ _EXEC_"


(See SRC_mpiutil which has some other examples)

On Wed, Jan 15, 2014 at 4:23 PM, Joshua Davis
<davis101 at chemistry.msu.edu> wrote:
> Dear Wien Users
>
> I have Compiled Wien2K 13.1 on our institutions High Performance Computer
> Cluster.
> It was complied with ifort13.01,mkl10.3,FFTW3.3.3, and OpenMPI1.4.4.  It all
> compiled perfectly with no errors.  However, when I go execute the program I
> get the error:
>
> lapw1: error while loading shared libraries: libfftw3.so.3: cannot open
> shared object file: No such file or directory
>
> my $LD_LIBRARY_PATH is:
>
> /opt/software/fftw/3.3.3--Intel-13.0.1.117--OpenMPI-1.4.4/lib:/opt/software/R/2.15.1--Intel-12.0.0.084/lib64/R/lib:/opt/software/boost/1.52.0--Intel-13.0.1.117--OpenMPI-1.4.4/lib:/opt/software/ClusterStudio/2013.1/composer_xe_2013.1.117
>
> Where the library should be is located int the first pathway listed.  I am
> very confused as to why this I am getting this error when I feel the library
> path is clearly stated.
>
> For other information, the HPCC that is being used is made up of different
> machines with differing memory and cpus, however they are all linked by high
> speed infiniband.
>
> Thank you for your help
>
> ----------------------------------------------------------------------------------------------------------------
> Joshua D. Davis
> davis.d.josh at gmail.com
> Cell: (734)945-6031
>
> Graduate Assistant
> Department of Chemistry
> Michigan State University
>
> 578 S. Shaw Lane, room 432
>
> East Lansing, MI 48824
> -----------------------------------------------------------------------------------------------------------------



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi