I would not be so sure it is MKL. Did you check the version? Did you find a
way to reproduce it with -g and/or -C?
MKL is not perfect, but...
On Thu, Aug 19, 2021 at 1:14 PM Pavel Ondračka
wrote:
> BTW I did the Valgrind run and there is nothing there (I don't have the
> affected MKL, but eithe
BTW I did the Valgrind run and there is nothing there (I don't have the
affected MKL, but either with OpenBLAS or with the Netlib LAPACK/BLAS
there are no Valgrind defects at all in the Wien2k code, just some
harmless leaked memory.) So yeah, confirming this is definitelly MKL.
Pavel
On Thu, 2021
A suggestion: check your mkl version, as there is a mkl bug that was
recently fixed, see
https://community.intel.com/t5/Intel-oneAPI-Math-Kernel-Library/Problem-with-LAPACK-subroutine-ZHEEVR-input-array-quot-isuppz/td-p/1150816
_
Professor Laurence Marks
"Research is to see what everybody else
I'm still on vacations, so cannot test myself.
However, I experienced such problems before. It has to do with
multithreading (1 thread works always fine) and the mkl routine zheevr.
In my case I could fix the problem by enlarging the workspace beyond
what the routine calculates itself. (see c
Dear Wien2k users,
Sorry, it is my mistake in the jobscript. Now this error has been fixed.
Please ignore this message thread.
thanks
Venkatesh
Postdoctoral Fellow,
Department of Instrumentation and Applied Physics
IISc Bangalore, India
On Thu, Aug 19, 2021 at 11:45 AM venky ch wrote:
> Dear
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