Alternatively: copy the xml data file (should be the only one needed) to a
different machine (different from Galileo :-) ), run fs.x on that machine.
Paolo
On Thu, Feb 4, 2021 at 8:48 AM wrote:
> Dear Paolo, dear Michal,
>
> Thank you so much for the indications, I see it is not a
> straigh
Dear Paolo, dear Michal,
Thank you so much for the indications, I see it is not a
straightforward task...
Patrizio
Paolo Giannozzi ha scritto:
On Wed, Feb 3, 2021 at 11:56 AM wrote:
Can you support me in understanding where or what I have to look at,
in order to deal with this iss
Hi
The mechanism for reading the pseudos has changed since last 6.7 version, and
this error should not show not at least with this message in the last version.
Hopefully if you use 6.7 the error will be fixed.
Pietro
Sent from Mail for Windows 10
From: Elio Physics
Sent: Wednesday, February
Dear all,
I have constructed a norm conserving pseudpotential with spin orbit coupling
using the ld1.x executable of QE version 6.6. Everything went fine. However
when I started an 'scf' calculation, the code stopped with the following
message in the 'error file'
"Error in arraytorealdp
Too
On Wed, Feb 3, 2021 at 11:56 AM wrote:
> Can you support me in understanding where or what I have to look at,
> in order to deal with this issue, please?
>
This is unfortunately a non-trivial endeavour. You should first of all
figure out whether the problem occurs always or only under some
circ
Hi
I can not give you a glue for QE ...
I have a lot of identical issues (what work on one system, does not work on
another) with CASTEP code ...
In all cased the reson was the used Fotran compiler and eventually mathematics
libraries ..
I suggest to ask the peopel on anothe supercomputer
Dear all,
since I have noticed the attachments might have been removed, I
repeat the message and report the text files at the end of the message
instead of as attachments. So sorry for the duplicate.
I am experiencing crashes of fs.x when using versions 6.3, 6.4, 6.5
and 6.6 either.
Dear all,
I am experiencing crashes of fs.x when using versions 6.3, 6.4, 6.5
and 6.6 either.
I'm running Quantum Espresso on the supercomputing cluster "galileo"
at CINECA, Italy, equipped with Intel Xeon E5-2697 v4 (Broadwell)
nodes, 1022 36-core compute nodes, each one contains 2 18-
