Sung Geun Kim

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

Results:

• 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).