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OMEN Nanowire: Time/memory table

OMEN Nanowire: Time/memory table. Approach: Running simulations for different cross-section and length of nanowire on Steele cluster ( http://www.rcac.purdue.edu/userinfo/resources/steele/ ) Extracting memory/time estimation for different CPU per energy point(CPP) Impact:

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OMEN Nanowire: Time/memory table

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  1. OMEN Nanowire: Time/memory table • Approach: • Running simulations for different cross-section and length of nanowire on Steele cluster (http://www.rcac.purdue.edu/userinfo/resources/steele/) • Extracting memory/time estimation for different CPU per energy point(CPP) • Impact: • Estimate memory/time usage for OMEN Nanowire (https://www.nanohub.org/resources/5359) user • Result: • Memory/time estimation increases linearly to the length of the nanowire (Fig. 1). • When memory estimation is larger than 2GB, the walltime increases non-linearily (Fig. 2) due to usage of swap memory. (CPP should be increased) • Memory/time estimation increases quadratically to the cross section of the nanowire (Fig. 3). 2GB Fig. 1 Memory estimation nonlinear Fig. 2 Simulation time(walltime) estimation Fig. 3 Memory/time estimation for different cross section

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