If that does not work, search
Google searching of bugs/problems is normally very effective.
On Wed, Apr 27, 2016 at 1:21 PM, Walid Hetaba <het...@fhi-berlin.mpg.de>
> thanks for the hints but unfortunately it didn’t solve the problem.
> Dr.techn. Walid Hetaba
> Fritz-Haber-Institut der Max-Planck-Gesellschaft
> Department of Inorganic Chemistry
> Faradayweg 4-6, 14195 Berlin, Germany
> T: +49 30 8413-4412
> > Am 27.04.2016 um 16:52 schrieb Laurence Marks <l-ma...@northwestern.edu
> > I am not certain if this will work -- worth a try.
> > Instead of exporting LD_LIBRARY_PATH etc yourself, use the scripts that
> Intel provides. These are safer since they keep changing them. For
> instance, on my cluster I have
> > VERS=2015
> > source /opt/intel/composer$VERS/bin/compilervars.sh intel64
> > source /opt/intel/composer$VERS/mkl/bin/mklvars.sh intel64
> > # This should work always
> > export MKLPATH=$MKLROOT/lib/intel64
> > export MKLINC=$MKLROOT/include
> > Make sure that you are appropriately compiling, and check what version
> of VERS to use
> > On Wed, Apr 27, 2016 at 9:42 AM, Walid Hetaba <het...@fhi-berlin.mpg.de>
> > Dear colleagues,
> > I'm trying to get the parallel version of WIEN2k 14.2 running on the
> institute's cluster, but I'm stuck now.
> > I searched the mailing list for the error message I receive, but at
> first glance I did not find relevant postings.
> > This is the problem I face:
> > The serial version of WIEN2k is running fine (also when using qsub and
> the submission system).
> > However, when trying to use the parallel version I get the following
> error when lapw1 is invoked in parallel mode:
> > "Intel MKL FATAL ERROR: Cannot load symbol MKLMPI_Get_wrappers."
> > Here the facts on hard- and software:
> > I'm using WIEN2k 14.2 to run the example TiC case from the UG as a test
> to see whether all works out fine.
> > I compiled the sofware using the Intel Cluster Studio with the Intel
> Fortran Compiler 16.0, Intel C++ Compiler 16.0, Intel MKL 11.3 and Intel
> > I compiled it using FFTW3 and the MKL lapack, scalapack and blacs.
> > The cluster consists of 37 nodes with 20 CPUs each. It is running a
> CentOS Linux distribution and it is using SGE as submission system. In the
> submission script orte is used as the parallel environment.
> > This is what I've tried so far:
> > I don't know why it can't find things from the MKL as I export all my
> environmental variables using the submission script, which I also checked
> by printing them.
> > As additional information I include the submission script
> (WIEN2k-test-p.sh, which is still a bit messy as I adopted it from another
> program for testing reasons), the :parallel file with the error messages
> (which I renamed to .parallel so that Thunderbird on Windows can handle
> it), the output-file (TiC.o14540) and the .machines file.
> > I get the same error messages when using OpenMPI instead of the
> IntelMPI, but the output is a bit different (see TiC.o14541).
> > I did try different ways to export my environmental variables (to get
> rid of unnecessary stuff), also tried mpi as the parallel environment in
> the submission script instead of orte. I also tried to request a different
> number of slots,...
> > But nothing off this got me rid of this error message.
> > Has anybody experienced a similar problem or are there any hints what
> else I can check?
> > Thanks for your help.
> > All the best,
> > Walid
> > --
> > Dr.techn. Walid Hetaba
> > Fritz-Haber-Institut der Max-Planck-Gesellschaft
> > Department of Inorganic Chemistry
> > Faradayweg 4-6, 14195 Berlin, Germany
> > T: +49 30 8413-4412
> > het...@fhi-berlin.mpg.de
> > http://www.fhi-berlin.mpg.de
> > --
> > Professor Laurence Marks
> > "Research is to see what everybody else has seen, and to think what
> nobody else has thought", Albert Szent-Gyorgi
> > www.numis.northwestern.edu ; Corrosion in 4D:
> > Partner of the CFW 100% program for gender equity,
> > Co-Editor, Acta Cryst A
> > _______________________________________________
> > Wien mailing list
> > Wien@zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > SEARCH the MAILING-LIST at:
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Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
Wien mailing list
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