I just installed oneAPI today (it is free !!!). You need the Base and
the HPC (high performance computing) toolkit.
It was trivial to install, but the setting of the environment is
slightly different.
Once installed, WIEN2k compiles with the standard option (ifort+mkl)
without any
Since nobody has responded, I will. I have oneAPI running without any issue
for some months. Of course sometimes the installation is tricky. I suggest
going ahead, then coming back to the list if there are any problems.
On Wed, Mar 10, 2021 at 12:38 AM Riyajul Islam wrote:
> Dear Wien2k users,
Dear Prof. Oleg
Thank you for your patience for my query.
Here is my script to calculate mstar [1] from a successfully finished mstar
calculation.
This is for Si only. For other systems, some parameters need to be tuned.
I am not a good programmer, so the script may not look in good format.
[1].
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