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.ondra...@email.cz <mailto:pavel.ondra...@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.abbasne...@gmail.com <mailto:m.abbasne...@gmail.com>
Website: academicstaff.uk.ac.ir/moabbasnejad
<http://academicstaff.uk.ac.ir/moabbasnejad>
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