Hello, A change in allocation has been requested: Requester: xud (Dongwei Xu) Project: CrysGrowKMC Title: Kinetic Monte Carlo simulation on the crystal thin film growth Description: The project started from the beginning of 2015 and we have performed calculations using Kinetic Monte Carlo simulation on the thin film growth on c- and m-planes of GaN. Next, we will study the time correlation of the surface step evolutions at equilibrium and during the growth. We will also study the situation when evaporation and condensation are both included in the model. The Stochastic Parallel PARticle Kinetic Simulator (SPPARKS) will be used to do the simulation. SPPARKS is an open source code developed at Sandia National Lab. It is installed at LCRC and we can modify the code to install in our own directory as needed. The code can only ran in one single core when the atom deposition is included. However, we have written a parallel script to run 16 (or any other) single jobs at the same time using the same node. The computation time is size and parameters dependent. The typical running time is 15 hours for one simulation condition and there are about 64 different situations for both c- and m-planes. Matlab, which is also installed at LCRC, is used to do the analysis. We can only use single core right now and it is very memory consuming (sometimes, we need to use BIGgpu). We plan to include the evaporation in our simulation, which is more time consuming. For each configuration, we need about 25 hours of run time when using 16 cores. Therefore, expected time estimate for simulation with evaporation is (16 cores/node * 25 hours of run time *64*2) 512,00 core-hours. We would also study the steps and the time correlation for both c- and m-planes, which needs about 102,400 core-hours. The time needed for the matlab program is about (16 cores/node * 3 hours of run time *64*3*2) 18,432 core-hours. We also want to do some tests on larger system sizes, which adds about 20,000 core-hours. The total time requested is about 200,000 core-hours. There will be two to three members in the project. Current: undetermined amount Justification: Requested: 400000 A specific reason has been given: The 3000 core-hours was used up and I need more computation time to continuous my research. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System