[Wien] error in mixer

[Gavin Abo]

In your WIEN2k 19.1 options below, it looks like you are not using ELPA.

Are you using Thomas' patch from:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18777.html

Which is what my modules.patch is at:

https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1

As mentioned at the following two links, if want to apply all current 
patches you can install WIEN2k 19.2 unless you want to selectively apply 
19.1 patches to WIEN2k 19.1:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19925.html
http://susi.theochem.tuwien.ac.at/reg_user/updates/

On 4/24/2020 1:25 PM, Mohad Abbasnejad wrote:
> Dear Pavel,
>
> Actually not. The following is the content of WIEN2k options I have 
> used for compilation.
>
> current:FOPT:-O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML 
> -traceback -assume buffered_io -I$(MKLROOT)/include
> current:FPOPT:-O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML 
> -traceback -assume buffered_io -I$(MKLROOT)/include
> current:OMP_SWITCH:-qopenmp
> current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lpthread 
> -lm -ldl -liomp5
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core
> current:FFTWROOT:
> current:FFTW_VERSION:
> current:FFTW_LIB:
> current:FFTW_LIBNAME:
> current:LIBXCROOT:
> current:LIBXC_FORTRAN:
> current:LIBXC_LIBNAME:
> current:LIBXC_LIBDNAME:
> current:SCALAPACKROOT:
> current:SCALAPACK_LIBNAME:
> current:BLACSROOT:
> current:BLACS_LIBNAME:
> current:ELPAROOT:
> current:ELPA_VERSION:
> current:ELPA_LIB:
> current:ELPA_LIBNAME:
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
> current:CORES_PER_NODE:1
> current:MKL_TARGET_ARCH:intel64
>
> Regards,
> Mohaddeseh
>
> On Fri, Apr 24, 2020 at 11:46 PM Pavel Ondračka 
> <pavel.ondracka at email.cz <mailto:pavel.ondracka at email.cz>> wrote:
>
>     > forrtl: severe (168): Program Exception - illegal instruction
>
>     Did you compile Wien2k on different machine than you run it now on?
>     What were your compilation options? This looks like your lapw1 binary
>     was compiled with some instructions which are not available on the
>     machine...
>
>     Best regards
>     Pavel
>
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>
> -- 
> ---------------------------------------------------------
> Mohaddeseh Abbasnejad,
> Assistant Professor of Physics,
> Faculty of Physics,
> Shahid Bahonar University of Kerman,
> Kerman, Iran
> P.O. Box 76169-133
> Tel: +98 34 31322199
> Fax: +98 34 33257434
> Cellphone: +98 917 731 7514
> E-Mail: m.abbasnejad at gmail.com <mailto:m.abbasnejad at gmail.com>
> Website: academicstaff.uk.ac.ir/moabbasnejad 
> <http://academicstaff.uk.ac.ir/moabbasnejad>
> ---------------------------------------------------------
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