[AMBER] amber18 and amazon aws

From: Luca Codutti <luca.codutti.oci.uni-hannover.de>
Date: Mon, 13 Aug 2018 17:37:44 +0200

Dear all,

Sorry for the newbie email. I am planning to run MDs on Amazon AWS, I
need to run 4 MDs for a largish system (~260K atoms). Being in a hurry,
for publication reasons, I was planning to make use of CUDA GPU.

Did any of you tried to run MD with a similar set-up? Any advice on
which EC2 instance would be best in terms of ROI/computational
time/storage space? Do you know where I could find any benchmark for
AMBER runs on AWS instances?

Kind regards and thank you for your help

Luca


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Received on Mon Aug 13 2018 - 09:00:02 PDT
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