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 to
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 "# o
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However, instructions on the website seem to be outdated.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