ed just let me know.
Thank you,
Joe
From: users on behalf of
Giuseppe Mattioli
Date: Friday, 20 January 2023 at 11:23
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Memory issues using pw.x
** THIS MESSAGE ORIGINATED OUTSIDE LOUGHBOROUGH UNIVERSITY **
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nuary 2023 at 11:23
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Memory issues using pw.x
** THIS MESSAGE ORIGINATED OUTSIDE LOUGHBOROUGH UNIVERSITY **
** Be wary of links or attachments, especially if the email is unsolicited or
you don't recognise the sender's email address. **
Dear Josep
Dear Joseph
Impossible to say more without seeing your input and knowing your
available resources.
Is the estimate printed close to the beginning of the pw.x output, like this
Estimated max dynamical RAM per process > 1.51 GB
Estimated total dynamical RAM > 48.27 GB
Hi,
I am sending this message as I am running into some issues when trying to
perform a pw.x calculation.
I am using a hybrid approach, with the flag input_dft = b3lpyv1r. The first SCF
calculation can be performed, however when it comes to introducing the hybrid
correction the program stops
