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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
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