Thanks to everyone who responded to my post and directed me to this page:
http://ambermd.org/GPULogistics.php#SizeLimits
Your assistance is appreciated.
Jim Kress
James Kress Ph.D., President
The KressWorksR Institute
An IRS Approved 501 (c)(3) Charitable, Nonprofit Corporation
"ENGINEERING THE CURE" C
(248) 573-5499
Learn More and Donate At:
Website: http://www.kressworks.org
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From: James Kress <jimkress_58.kressworks.org>
Date: Fri, 17 Jul 2020 18:28:37 -0400
Recent posts have indicated AMBER can be run on a smallish computer (e.g. <
128 GB RAM, 4 cores) if a GPGPU is used for the actual MD run.
However, this begs the question, how much GPU RAM is required for large MD
runs using AMBER with a smallish computer? What would be the correct
definition of "large" for such a system? Would it be 1 million atoms for 1
core, 128GB CPU RAM and Nvidia Quadro P4000 w/8GB GDDR 5?
Thanks for any responses.
Jim
James Kress Ph.D., President
The KressWorksR Institute
An IRS Approved 501 (c)(3) Charitable, Nonprofit Corporation
"ENGINEERING THE CURE" C
(248) 573-5499
Learn More and Donate At:
Website: http://www.kressworks.org
Confidentiality Notice | This e-mail message, including any attachments, is
for the sole use of the intended recipient(s) and may contain confidential
or proprietary information. Any unauthorized review, use, disclosure or
distribution is prohibited. If you are not the intended recipient,
immediately contact the sender by reply e-mail and destroy all copies of the
original message.
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Received on Wed Jul 22 2020 - 15:30:03 PDT
