Re: [AMBER] Amber performance

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 06 Oct 2020 16:13:54 -0700

What is the CPU and the amount of memory?BillAI:http://phobrain.com/pr/home/view.html
-------- Original message --------From: Jonathan Gabriel Canan Gomez <jonathan.canan.unab.cl> Date: 10/6/20 3:56 PM (GMT-08:00) To: amber.ambermd.org Subject: [AMBER] Amber performance I am having problems with the performance of pmemd.cuda, I am testing the systems of https://ambermd.org/GPUPerformance.php#RCWBenchmarksand I can only get about 80% of performance that you show on the page.For example the JAC_production_NVE_4fs (PME) system on a 2080ti device where you get 1033 ns/day, we get 841.29 ns/day.Reviewing the information of device I see that it is at a temperature of 82 ºC, the fan at 49% and the gpu-utility at 87%. Is it possible that better cooling is required for better performance? or is this temperature ok and I need a specific configuration on compilation?Thank you for your helpJonathan CananIngeniero en BioinformáticaAdministrador de SistemasCenter for Bioinformatics and Integrative Biology (CBIB)Facultad de Ciencias Biológicas - Universidad Andrés Bellowww.cbib.cl<http://www.cbib.cl>[content://com.samsung.android.email.attachmentprovider/1/8676/RAW]_______________________________________________AMBER mailing listAMBER.ambermd.orghttp://lists.ambermd.org/mailman/listinfo/amber
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Received on Tue Oct 06 2020 - 16:30:02 PDT
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