Dear Users and Developers of Quantum Espresso,
I am trying to perform a calculation of critical temperature for Al.
However, instructions on the website seem to be outdated. It tells the user
to "specify option la2f=.true. to pw.x in order to save a file with the
eigenvalues on the dense *k*-point
Ops, typo while typing from the phone...
"are you using OMP_NUM_THREADS=48 or OMP_NUM_THREADS=12?"
(everything else is correct)
--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga
On Fri, 4 Mar 2022 at 09:33, Filippo Spiga wrote:
> Dear Manish,
>
> when you use nGPU=4, the "#
Dear Manish,
when you use nGPU=4, the "# of Threads" column specify the aggregate number
of threads? Meaning, are you using OMP_NUM_TRHREADS=48 or
OMP_NUM_TRHREADS=48? From you email it is not clear and, if you
oversubscribe physical cores with threads or processes then performance is
not going
