April 2014 - Allocations-admins - mailman3.cels.anl.gov

[LCRC Accounts] Project Request: GasTurbineCombustion
by accounts＠lcrc.anl.gov 15 Apr '14

15 Apr '14

Hello, A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Sibendu Som Applicant's institution: ANL Applicant's division: Energy Systems Project Name: GasTurbineCombustion Project title: Benchmark Combustion Simulations for Gas Turbine Applications Associated funding: Other Systems: Convergent Science Inc. Science: The "entitlement rig" is commonly used to benchmark combustion simulations for gas turbine applications. Steady state simulations are typically run with a Reynolds Averaged Navier Stokes (RANS) based turbulence model. At lower equivalence ratios, the combustion is known to be unstable. Thus, a RANS based turbulence model may not be appropriate for these conditions. An advantage of RANS based turbulence model is that they can be run with coarser mesh resolutions. However, to properly capture the combustion performance at lower equivalence ratios, it may be best to use a Large Eddy Simulation (LES) turbulence to simulate the unsteady combustion behavior. Project description: With the use of parallel processing and highly-scalable CFD solvers, LES is becoming an increasingly practical technique for modeling the turbulent flow in internal combustion engines. Recently it has been shown by Argonne and CSI that LES can provide good qualitative and quantitative comparisons to instantaneous engine spray measurements since it directly resolves the large scales in the flow field. Grid-convergence behavior of a dynamic structure based LES model was demonstrated by employing minimum cell sizes in the order of 30 microns under evaporating but non-combustion spray conditions. This methodology has not yet been applied to the simulation of a gas turbine combustion using the CONVERGE code. We propose to run the combustion simulations at a lower equivalence ratio with an LES turbulence model. Using the LES model should capture the unsteady combustion behavior. A disadvantage of LES turbulence model is that the simulations typically require more grid resolution than a RANS simulation. Comparisons on emissions (CO, CO2, NOx) will be performed between RANS and LES simulations. Demonstration of grid-convergence in a real engine simulation is challenging due the need to resolve finer flow structures across larger volumes which may result in high computational costs. This project will address these challenges by using advanced load-balancing algorithms (such as METIS), reduced chemical kinetic models for combustion (ensuring that the fidelity of the model is very high under the operating conditions), multi-zone model, HPC resources to ensure lower wall-clock times, adaptive mesh resolution technique to add cells in desired locations of high temperature, species, and velocity gradients, and sector simulations for bench-marking the LES. The key will be to develop “best practices” for LES gas turbine combustion simulations. 1) Finite volume schemes 2) LES (dynamic structure) and RANS turbulence models used 3) Detailed chemical kinetic models for gas turbine fuels 4) CONVERGE software is being used - ~128 licenses available 5) Scales well up-to 128 processors Project URL: Requested allocation: 499000 Q1: 0 Q2: 0 Q3: 150000 Q4: 349000 Justification: The requester has used undetermined amount hours of their initial startup project. In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see: https://wiki.lcrc.anl.gov/wiki/Processes/Categories Once the Allocation committee has approved the project, please go to the Project Management page to create it: https://accounts.lcrc.anl.gov/projects.php Thank You, The LCRC Accounts System

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[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 09 Apr '14

09 Apr '14

Hello, A change in allocation has been requested: Requester: raffenet (Ken Raffenetti) Project: mpich_abi Title: MPICH ABI testing Description: The MPICH ABI Compatibility Initiative is a collection of MPICH-derived MPI implementations with and explicit goal of maintaining ABI compatibility across each other. This project and associated allocation will be used to provide our industry partners with access to a supported install of the latest MPICH for ABI testing purposes. Current: undetermined amount Justification: Requested: 50000 A specific reason has been given: Requesting more time now that we are at a negative balance. We are going to do another MPICH release soon (hopefully) to standardize some ABI features and would like to use Fusion for more testing. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 08 Apr '14

08 Apr '14

Hello, A change in allocation has been requested: Requester: balaji (Pavan Balaji) Project: radix Title: Scalable Parallel System Software Description: This is a Computer Science request for 60,000 cpu-hours on Blues for development and evaluation of a family of tools and libraries with a direct benefit to all users of high-performance computing resources. The Radix group in Argonnne's Mathematics and Computer Science division conducts research and development on facilities to better enable efficient Parallel Programming, I/O, and Scientific Understanding. The Blues system represents an attractive milestone for our software development: projects start out on our breadboard cluster and can further explore scalability in the presence of a high speed network on Blues before making the jump to BlueGene-scale parallelism. Radix experiments often are concerned with latency. The infiniband network on Blues provides an excellent low-latency environment for message passing and storage management research while also providing ample bandwidth for I/O and message bandwidth testing. For FY2014 our Messaging middleware experiments include the usual MPICH development. We will study the continued improvement of various MPI features including scalability and memory usage, performance tuning, high-level libraries on top of MPI, fault tolerance capabilities, one-sided communication, and collective operations. This allocation will also be used for studying MPI extensions including active messages, and compiler support for MPI refactoring. The NWChem library will continue to improve the performance of an important scientific application that is widely used for science by Argonne researchers. Specifically, we will develop inspect-executor load-balancing techniques that will reduce network contention and improve the overall performance and scalability of an important family of methods (coupled-cluster methods). Furthermore, we will explore hybrid programming models (that is, adding threading to the existing GA/ARMCI/MPI model), particularly in the TCE module, which has been used extensively by researchers in Argonne MSD and CSE. All the aforementioned developments will be deployed on Blues in a production fashion and made available to all users. This allocation will enable Jeff Hammond to maintain the NWChem installations on Blues, as he has done for Fusion in the past. We work closely with application scientists, and develop application tools under the 'radix' allocation. For one example, the KMI project defines a high-level standardized interface for computational biology applications relying on distributed search and match semantics for biological reads. We will study efficient data management and data movement techniques to allow scaling to large number of processes. The GPFS file system on Blues will allow us to experiment with I/O strategies on a modest scale before evaluating them at leadership scale on Mira. For FY 2014 our file system research extends into data storage approaches suitable for exascale. Our research into object storage protocols, including high performance access and replication, fits well on Blues. Our Exascale storage efforts will explore scalable algorithms for use in next generation HPC storage systems. The Blues allocation will be used to evaluate programming models, fault detection algorithms, synchronization primitives, and fault tolerance strategies for a prototype object storage system. In FY 2014 we are continuing research into new high level I/O libraries. We anticipate Blues and Vesta will be our two main test platforms. Radix projects also focus on deriving insight both about application behavior as well as scientific insight. 16-core nodes make efforts like in-situ visualization, where for example an application renders a frame of a movie, ever more feasible. Even without fancy graphics accelerators, the processing power on Blues nodes makes such analysis and visualization feasible, especially if the visualization can take advantage of multiple cores and multiple nodes. Naturally, the radix visualization tools have demonstrated scalability to Blues sizes and beyond on Blue Gene, so making full utilization of Blues should not be a concern. As should be evident from the variety of planned experiments, the Radix group plans to make full use of Blues. With Argonne employees and student collaborators, we expect around 20 members in FY2014. We plan on about 0% of our jobs being single core jobs. It's crazy that you even have to ask! While Blues may contain a modest number of compute nodes, the machine still represents an attractive platform for testing: very fast, low latency interconnect; 16 cores per node; The testing and experiments the Radix group can carry out on Blues ensures the tools the group develops today will remain relevant even as supercomputers grow. Quite a few radix-developed projects are part of the Blues software stack: CPU hours for this project yield improvements and benefits not just for the radix group, but for all users of Blues and indeed users of high-end computational resources worldwide. Current: undetermined amount Justification: Requested: 300000 A specific reason has been given: We have a bunch of students working on papers that are using up our current Blues allocation. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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