[AMBER] Set the correct number of CPUs and GPU - benchmark - Amber 14

From: Eduardo Almeida Costa <eacosta.uesc.br>
Date: Tue, 29 Jan 2019 15:34:02 -0300

Hello everyone.

I have available 3 nodes with 12 CPUs and with 2 Tesla K20 GPUs each.
(Total 36 CPUS and 6 GPUs)

I'm using AMBER 14 + AmberTools 15.

I downloaded the AMBER 14 benchmark files (
http://ambermd.org/gpus14/benchmarks.htm).

My question is about the correct configuration of the parameters
"CPU_COUNT" and "GPU_COUNT" in the file "run_bench_CPU + GPU.sh".

Should I put how much each node has, or put the total?

# ------ SET FOR YOUR SYSTEM -------
#
GPU_COUNT = 2
CPU_COUNT = 12
#Should we run large STMV 1 million atom + test?
RUN_LARGE_BENCH = true
#
# ----------------------------------
Or
# ------ SET FOR YOUR SYSTEM -------
#
GPU_COUNT = 6
CPU_COUNT = 36
#Should we run large STMV 1 million atom + test?
RUN_LARGE_BENCH = true
#
# ----------------------------------

My best regards.

Eduardo.
-- 
Eduardo Almeida Costa
Analista Universitário - 73.528.957-1
NBCGIB/UESC
Tel: +55 73 3680 5212
Bel. em Ciência da Computação/UESC
Me. em Genética e Biologia Molecular/UESC - CAPES 5
Dr. em  Biologia e Biotecnologia de Microrganismos/UESC - CAPES 4
Programa de Doutorado Sanduíche no Exterior 2017 (PDSE 2017) - Aberystwyth
University, País de Gales, Reino Unido, com apoio da Coordenação de
Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) - Código de
Financiamento 001.
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Received on Tue Jan 29 2019 - 10:30:02 PST
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