[QE-users] Quantum Espresso on Amazon Web Services

Minho Lee mino at simulation.re.kr
Thu Sep 6 13:42:35 CEST 2018


Dear Uri argaman,

Our service(materials square) is providing user interface and cloud HPC for QE.

Our service uses the AWS EC2 instances(c5), and we’ve found that performance is similar or superior to the on-premise HPC.

However, we also found that MPI performance dropped when we used c5.9xlarge instance. so I recommend to use top-level instance in the instance group(i. e. c5.18xlarge)

Could you provide your AWS environments(compiler, instance type, AMI,..)?

Sincerely,

Minho Lee
------------------------
Minho Lee
CEO/Developer
T. 02-3293-0204 | C. 010-2770-4080
E. mino at virtuallab.co.kr | H. http://www.virtuallab.co.kr

On-demand Materials Simulation
https://www.materialssquare.com
On 2018년 9월 5일 PM 5:49 +0900, Uri Argaman <argamanu at post.bgu.ac.il>, wrote:
> Dear QE users and devalopers
> I'm running QE on Amazon Web Services (AWS) and I see that the run times are very bad compared to other systems that I use and I also encountered crashes which I cannot understand the reason for them. Does anyone work on AWS and know something about the performance and special compilation issues?
> Thank you
> Uri Argaman
> Ben-Gurion University
> Israel
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