[QE-users] Nvidia A100 / Possible implementation

[Pietro Davide Delugas]

Dear Chiara
QE 6.8 ( as well as QE 6.7 ) works fine also on A100.
Best regards Pietro
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From: Chiara Biz<mailto:chiara.biz at magnetocat.com>
Sent: Friday, October 22, 2021 9:44 AM
To: users at lists.quantum-espresso.org<mailto:users at lists.quantum-espresso.org>
Subject: [QE-users] Nvidia A100 / Possible implementation

Dear Team of Quantum Espresso,

I hope you all are doing very fine.  In a previous conversation Dr. Spiga suggested us to buy Volta and Ampere Architectures to speed up our calculations. We followed the advice and we bought a V100 that is making wonders (thank you again for the advice!).

We still have budget to use and we would like to buy an Ampere A100 80Gb to fit another machine, but we noticed that Quantum Espresso compilation lacks the proper architecture signature for the Ampere (even the 6.8 version). We expect the Ampere to be a 80 (considering the Volta is a 70), but, my question is, how can we implement that??? Is there a way to go? What should we write?

Thanks again for your help. QE works like a charm.

Best regards
Chiara

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MagnetoCat SL
Calle General Polavieja 9, 3 Izq
03012 Alicante, Spain
Tel. +34 865593094







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