- Allocations-admins - mailman3.cels.anl.gov

New LCRC report submitted for uncertainty-climate
by support＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2017/?project=uncertainty-c…

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New LCRC report submitted for HELIOS
by support＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2017/?project=HELIOS

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New LCRC report submitted for MODAL-Azores
by support＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2017/?project=MODAL-Azores

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New LCRC report submitted for DFT_ALD_SiC
by support＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2017/?project=DFT_ALD_SiC

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New LCRC report submitted for chargetransport
by support＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2017/?project=chargetranspo…

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New LCRC report submitted for PF-gas-bubble
by support＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2017/?project=PF-gas-bubble

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[LCRC Accounts] Yearly Allocation Request for ignition-plasma
by accounts＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Riccardo Scarcelli Project Name: ignition-plasma Division: ES Project title: Advanced Modeling for Non-Equilibrium Plasma Associated funding: DOE Vehicle Technologies Program Office Other Systems: Science: Advanced technologies involving non-equilibrium plasmas require extensive computational effort due to the total absence of models that can describe those technologies in computational fluid dynamics (CFD) codes typically used for internal combustion engine (ICE) simulations. The ultimate goal of this project is to expand, build, and validate, advanced ignition models that can comprehensively evaluate potentially any kind of ignition system. However the current focus of this research effort is to build proper fundamental understanding of the physics of ignition plasmas, especially for non-conventional technologies that are relatively novel applications in the automotive field. Characteristics and reaction mechanisms of various ignition plasmas are to be investigated. Advanced experimental diagnostics including optical engine tests (Sandia), calorimetry (Sandia), and x-ray radiography (APS, Argonne) will help to characterize and validate the simulated plasma formation and ignition events. Project description: There are two major goals for this project: • Improve the fundamental understanding of the physics and chemistry of non-equilibrium plasma • Build novel ignition models that allow simulating non-equilibrium plasmas within a CFD engine framework Simulations will be primarily carried out with the commercial solver VizGlow. The characteristics of non-equilibrium plasmas will be analyzed as an effect of the mixture thermodynamic properties (pressure, temperature, composition) as well as of the boundary conditions (pulse width and peak voltage) and electrodes’ geometry. A different type of simulations will also be performed with CONVERGE to expand the current ignition models for engine simulations and account for ignition by non-thermal plasma. Typical jobs run under this project will require 16 or 32 (Vizglow) and 48 or 64 (CONVERGE) cores respectively, yielding an estimation of quarterly core-hrs requirement of 32 cores (low end) x 24 hrs x 90 days x 4 jobs = 276,500. Hence, 225,000 core-hrs per quarter are requested for FY2018 for this project. The efforts will be distributed evenly throughout the year. Industry partnership: Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 900000 Q1: 225000 Q2: 225000 Q3: 225000 Q4: 225000 Justification: Scalability tests recently performed with VizGlow on Blues have shown acceptable efficiency on up to 32 cores on a relatively coarse mesh. Scalability performance are expected to improve with finer meshes and 3-D calculations (larger amount of computational cells): First 1 nanosecond of low-pressure pulsed discharge in air 8 cores – walltime = 1380 sec 16 cores – walltime = 776 sec  89% 32 cores – walltime = 478 sec  72% Scalability tests recently performed with CONVERGE on Blues have shown acceptable efficiency on up to 48 cores: Simulation of engine single-cylinder – 10 crank angle degrees – RANS 1 node (16 cores) – walltime = 460 sec 2 nodes (32 cores) – walltime = 270 sec  85% 3 nodes (48 cores) – walltime = 210 sec  73% Storage requirements: The project currently has 4TB of storage would like to request to increase the allocation to 5TB to handle the increasing results and new simulation jobs. Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request for GDI_lean_burn
by accounts＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Riccardo Scarcelli Project Name: GDI_lean_burn Division: ES Project title: Advanced Dilute Combustion in High-Efficiency Gasoline Engines Associated funding: DOE Vehicle Technologies Program Office Other Systems: Science: This project deals with lean and EGR dilute combustion in direct injection gasoline (GDI) engines. It focuses on advanced ignition systems and investigates their effects on combustion stability. Improved combustion stability as well as potential extension of lean and dilute operating limits are going to be the key criteria for the assessment of advanced ignition systems. 3D-CFD simulation plays a key role in carrying out fundamental analysis of the interaction between the ignition source and the local physical and chemical properties during the ignition event and in determining engine operating parameters to fully utilize the potential of each advanced ignition system. Project description: The objective of this project is to develop a numerical methodology for the analysis of combustion stability in a SI engine operating under extreme dilute conditions. From a simulation standpoint, the focus of this project is on two main topics: • Analysis of cycle-to-cycle variations (CCV) in SI engines, especially under dilute operation • Analysis of the ignition process for conventional and non-conventional ignition technologies and impact on CCV The sub-tasks for FY 2018 will: 1) expand state-of-the-art spark-ignition models and validate a new hybrid Lagrangian-Eulerian approach to simulate spark ignition against schlieren data from a constant volume combustion chamber; 2) evaluate the effect of ignition on cyclic variability in a DI SI gasoline engine and validate the numerical results against engine optical diagnostics (PIV and flame images) and metal engine data (COVIMEP) at different operating conditions (e.g. stoichiometric and dilute combustion). Simulations will be performed with the commercial code CONVERGE and computational grids of few million cells will require the use of 32-64 cores depending on the specific approach – RANS or LES – as well as mesh resolution and approach followed. We expect 2-4 cases running on daily basis. With an average estimate of 48 cores per run and 3 cases in parallel, the expected amount of core-hrs needed for this project for each quarter is: 48 cores x 24 hrs x 90 days x 3 jobs = 310,000. Most of these runs will be focusing on multi-cycle simulations with typical walltime of 1 week (maximum), therefore the jobs will consume a high number of core-hrs and post-processing will be performed in parallel. Our request is minimum 250,000 core-hrs per quarter. The effort will be evenly distributed within the four quarters. Industry partnership: Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 1000000 Q1: 250000 Q2: 250000 Q3: 250000 Q4: 250000 Justification: Efficiency: Recent scalability test (Sept 2017) performed on Blues provided following results: Simulation of engine single-cylinder – 10 crank angle degrees – RANS 1 node (16 cores) – walltime = 460 sec 2 nodes (32 cores) – walltime = 270 sec  85% 3 nodes (48 cores) – walltime = 210 sec  73% Storage requirements: Current project folder size is 4TB, I would like to request an increase up to 5TB. Thank You, The LCRC Accounts System

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New LCRC report submitted for Bubble_superlattice
by support＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2017/?project=Bubble_superl…

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New LCRC report submitted for Comp_Nanocatalysis
by support＠lcrc.anl.gov 31 Aug '17

31 Aug '17

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2017/?project=Comp_Nanocata…

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