[Wien] WIEN2k_14

[Oleg Rubel]

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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