[Wien] WIEN2k_14

[Osama Yassin]

Dear Oleg,,

Thank you for advice. It is working now.

Osama

On Wed, Sep 17, 2014 at 5:16 PM, Oleg Rubel <orubel at lakeheadu.ca> wrote:

> I faced a similar problem since my MKL is old. There is a new
> preprocessor variable "mkl_scalapack". The work around was to add
> "-Dmkl_scalapack" to FPOPT. My FPORT look like this:
>
> FPOPT = $(FOPT) -DFFTW3
> -I/home/dwillic1/software/fftw/3.3.3/intel-mvapich2-1.9/include
> -Dmkl_scalapack
>
> I hope this will help
> Oleg
>
>
> On Wed, Sep 17, 2014 at 10:03 AM, Laurence Marks
> <L-marks at northwestern.edu> wrote:
> > Please check to see if your Scalapack includes the Version 2.0.X
> routines,
> > see http://netlib.org/scalapack/scalapack-2.0.0 . Older versions may not
> > have the robust representation in them. It may be simply a case of using
> a
> > newer ifort mkl or scalapack.
> >
> > On Wed, Sep 17, 2014 at 8:48 AM, Osama Yassin <oyassin63 at gmail.com>
> wrote:
> >>
> >> Dear Prof Blaha and all
> >>
> >> Earlier I complied Wien2k-13.1 without any problem. But, when compiling
> >> Wien2k 14.1 everything went well except "lapw1_mpi". I got the following
> >> message
> >>
> >> "seclr4.o: In function `seclr4_':
> >> seclr4_tmp_.F:(.text+0x6bb): undefined reference to `pdsyevr_'
> >> seclr4_tmp_.F:(.text+0xd50): undefined reference to `pdsyevr_'
> >> make[1]: *** [lapw1_mpi] Error 1
> >> make[1]: Leaving directory `/home/osama/Wien2k-14/SRC_lapw1'
> >> make: *** [rp] Error 2"
> >>
> >> The final results tells:
> >> Copying programs
> >>   SRC_lapw1/lapw1
> >>   SRC_lapw1/lapw1c
> >>   SRC_lapw1/lapw1c_mpi
> >>
> >> done.
> >>
> >> Compile time errors (if any) were:
> >> SRC_lapw1/compile.msg:make[1]: *** [lapw1_mpi] Error 1
> >> SRC_lapw1/compile.msg:make: *** [rp] Error 2
> >>
> >> How can I solve this?
> >>
> >> O A Yassin
> >>
> >
> >
> >
> > --
> > Professor Laurence Marks
> > Department of Materials Science and Engineering
> > Northwestern University
> > www.numis.northwestern.edu
> > Corrosion in 4D: 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
> >
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> >
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-- 
*Osama          *
*Prof Dr Osama Ali Yassin *
*Professor of Solid State Physics and ICTP regular associate*
*Department of Physics, Faculty of Science*

*Taibah University, A-Madinah Al-Munawarh, K. Saudi Arabia*
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