[AMBER] Scabilility of the code in cpus

From: Ana Luisa Novo de Oliveira <analuisa.novodeoliveira.icm.uu.se>
Date: Tue, 22 May 2018 16:45:39 +0000


Im currently applying for a supercomputer project and they asked me for the scability of the code in Marenostrum IV. Each node has two Intel Xeon Platinum chips, each of it with 24 processors. Do you have any data for systems running on this architecture? The minimal number of cores for these projects is 1024. My systems have around 175000 atoms. Would the amber code be suitable for my simulations?

Where can I find information about the main algorithms and its parallelization in amber?

Best regards,

Ana Oliveira

Ana Oliveira, PhD
Department of Cell and Molecular Biology
Uppsala University
BMC, Box 596
SE-751 24 Uppsala
email: analuisa.novodeoliveira.icm.uu.se
Webpage: http://www.icm.uu.se/research/csb/aqvist/
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Received on Tue May 22 2018 - 10:00:03 PDT
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