September 2011 - Allocations-admins - mailman3.cels.anl.gov

[LCRC Accounts] Yearly Allocation Request from MINOTAUR
by accounts＠lcrc.anl.gov 13 Sep '11

13 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Ashutosh Mahajan Project Name: MINOTAUR Division: MCS Project title: Next-Generation Solvers for Mixed-Integer Nonlinear Programs: Structure, Search, and Implementation Associated funding: DOE, through grant DE-FG02-05ER25694. Other Systems: None Science: One of our objectives in this project is to develop powerful algorithmic frameworks to solve previously intractable mixed-integer nonlinear programs (MINLPs). Another is to deliver implementations of these frameworks in new, publicly available solvers. Towards these ends, we are developing the solver MINOTAUR that can solve such problems found in many diverse applications. The difficulty and consequently, the solution time for these problems grow exponentially in the size of the input. Our objective is to harness the parallel processing machines to solve these problems in reasonable time. Another important part of this development is experimenting with many different algorithms and parameters in order to identify the best operating parameters based on the problem structure. Project description: Minotaur framework, at its core, a generic robust branch-and-bound based tree search. A linear or nonlinear relaxation of the MINLP is obtained by relaxing the integrality restrictions on the variables. This relaxed problem is then solved using an appropriate solver. The solution to this problem provides a lower bound (assuming we are minimizing a function). Integrality is then enforced by creating two subproblems or branches, none of which contain the current solution. The procedure is then recursively applied to both branches. In its current state, Minotaur is essentially a serial code, with several sophisticated algorithms to create relaxations and strengthen them, methods for branching, heuristics etc. We are currently trying novel methods to avoid or reduce the combinatorial explosion associated with branch-and-bound. The branch-and-bound method is naturally attractive for parallelizing because of the sheer number of many different subproblems that need to be solved. However, devising ways to effectively harness multiple cores/cpus is a challenge. Since the difficulty of these problems increases exponentially in size, it means that one may need twice as many cpus for just one new variable. We are working on methods to tackle this problem by eliminating large parts of search tree by doing more analysis and exploiting the problem structure. Techniques like strong branching, bound tightening, probing and primal heuristics can be applied effectively in parallel. We will be developing software that utilizes multiple cores on a single node of Fusion for these purposes. We have a large set of different problems (> 500) that need to be solved. With each instance taking up to 4 hours, we will need to run Minotaur on many nodes simultaneously to solve the whole set in reasonable time. Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 48000 Q1: 12000 Q2: 12000 Q3: 12000 Q4: 12000 Justification: Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request from radix
by accounts＠lcrc.anl.gov 13 Sep '11

13 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Robert Latham Project Name: radix Division: MCS Project title: Scalable Parallel System Software Associated funding: DoE core, SciDAC, NSF, FASTOS Other Systems: breadboard (unlimited) ALCF Intrepid/Surveyor (5,000,000 cpu hours) Science: Our mission is to develop the technologies required to dramatically increase the productivity of scientists developing applications for parallel supercomputers. The focus is fourfold: integration of parallel programming tools, reuse of parallel program components, development of scientific computing toolkits and portable libraries, and exploration of requirements of future parallel computers. Project description: This is a Computer Science request for 450,000 cpu-hours on Fusion 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 Fusion 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 Fusion before making the jump to BlueGene-scale parallelism. Radix experiments often are concerned with latency. The infiniband network on Fusion 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 FY2012 our Messaging middleware experiments include the usual MPICH2 development as well as application-oriented libraries like ADLB, a load-balancing library. Fusion hosts two quality parallel file systems, GPFS and PVFS. The wider HPC community often asks the Radix file system researchers to compare these file systems head-to-head. Fusion provides us the opportunity to do just that. For FY 2012 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 Fusion, with the large amount of local storage on compute nodes. Hosting two parallel file systems allows us to do more than just drag-race (so to speak). The two file systems have distinct characteristics, and act differently in the broader role of the I/O software stack. On Fusion, we can utilize a single software stack (application, parallel-netcdf, ROMIO), and compare the impact of a change in the underlying file system on overall application behavior. We know from other research, for example, that the two-phase optimization in ROMIO needs to adapt to the underlying file system, and that aligning variables to file system boundaries can yield performance improvements for parallel-netcdf. In FY 2012 we are continuing research into new high level I/O libraries. We anticipate Fusion and Surveyor will be our two main test platforms. Fusion compute nodes actually look fairly attractive to active storage research. These nodes have enough disk space to store non-trivial datasets, and powerful enough processors to carry out complex computations without much impact on storage performance. Radix projects also focus on deriving insight both about application behavior as well as scientific insight. 8 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 Fusion 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 Fusion sizes and beyond on BlueGene, so making full utilization of Fusion should not be a concern. As should be evident from the variety of planned experiments, the Radix group plans to make full use of Fusion. With Argonne employees and student collaborators, we expect around 20 members in FY2012. We plan on about 0% of our jobs being single core jobs. It's crazy that you even have to ask! While Fusion may contain a modest number of compute nodes, the machine still represents an attractive platform for testing: very fast, low latency interconnect; 8 cores per node; .25 TB of storage per compute node. The testing and experiments the Radix group can carry out on Fusion ensures the tools the group develops today will remain relevant even as supercomputers grow. Quite a few radix-developed projects are part of the Fusion software stack: CPU hours for this project yield improvements and benefits not just for the radix group, but for all users of Fusion and indeed users of high-end computational resources worldwide. Project URL: http://www.mcs.anl.gov/research/group_detail.php?id=1 Current FY Hours Used: undetermined amount New FY Requested allocation: 448000 Q1: 112000 Q2: 112000 Q3: 112000 Q4: 112000 Justification: Thank You, The LCRC Accounts System

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New LCRC report submitted for md_pls_dft_for_TiO2
by support＠lcrc.anl.gov 13 Sep '11

13 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=md_pls_dft_fo…

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[LCRC Accounts] Yearly Allocation Request from intermetallic
by accounts＠lcrc.anl.gov 13 Sep '11

13 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Randall Meyer Project Name: intermetallic Division: CSE Project title: Fundamental studies of disparate metals in p/d alloys Associated funding: NSF Other Systems: NCSA 100,000 hr/yr Science: The project will use the VASP (Vienna Ab Initio Simulation Package) code to study the formation of unique phases in nanoalloys. Experimentally our group is working with Jeff Miller and Chris Marshall to synthesize alloy nanoparticles involving a d-band transition metal and a "p-electron" metal such as Ga, Ge or Sn. One interesting aspect of these alloys is that they form intermetallics as opposed to homogeneous alloys. However, it is not known how surface segregation may manifest itself in these systems. The primary aim of the proposed theoretical work is to understand the thermodynamics of nanoparticles relative to bulk phases in an effort to understand how to improve catalyst selectivity. Project description: The project has moved in two directions simultaneously over the last year. First, we have performed PDOS calculations on Pd clusters in an effort to understand how the PDOS of Pd is related to the XANES spectra and how our results compare with previous results we have obtained on Pt. We have examined both size effects as well as the effect of simple adsorbates such as CO and H2. Our calculations for Pd follow the same trends as we had previously observed with Pt. First, we find that as the particle size decreases, the intensity of the L edge decreases in response to the undercoordination which results in an increase in pure d states on the smaller clusters. In addition, we find that for CO and H2 adsorption an increase in intensity is observed as well as a shift to higher energy. In contrast, OH adsorption results in a shift to lower energy. Recently Linic and co-workers have explained this result as a unique consequence of a highly electronegative adsor bate interacting with a nearly filled d-band In this case, the antibonding orbital lies completely below the Fermi level therefore considerable . In addition we have extended our work to alloys. Experiments have been performed at the APS at both the Pd and Pt L2,3 edges for a PdPt alloy. Comparing Pd and Pt L2,3 reveals that upon alloying there are opposite shifts in the leading edges. For Pt L2,3 upon alloying there is a decrease in adsorption edge intensity, small decrease in edge position energy and a narrowing of the edge. For Pd L2,3 the adsorption edge intensity increases, a shift to higher energy and a broadening of the edge. Simulated Pt and Pd L2,3 shows a good agreement with the results obtained experimentally Pt and Pd L3 edge. Naively one could suppose that the Pd in a PdPt alloy is in expansion since the lattice constant of PdPt is large than Pd alone. This would result in a narrowing of Pd PDOS. Conversely, one could conjecture that Pt would respond as if it were in compression (and its d-band would expand). In fact this is not the case, as the Pd/Pt PDOS shows the narrowing of the d-band for Pt in the alloy and a simultaneous broadening of the Pd PDOS in the alloy. This behavior results from the fact that Pt (as discussed previously) has a larger extent than Pd. This implies that in the alloy, Pd is now “overbonded” by Pt and experiences increased hybridization due to the larger overlap with Pt than it would have had with its Pd neighbors. Similarly, Pt is now “underbonded” by Pd since the d-orbitals of Pd do not extend as far as Pt. This differences in extent are manifested by the large increase in the melting temperature of Pt with respect to Pd. Not surprisingly the PDOS is completely with consistent with the observed XANES as the decrease in the absorption edge of Pt in the alloy stems from the increase in pure d states due to the lack of hybridization in the alloy as compared to the pure metal. Of course, Pd follows the opposite trend as it experiences greater bonding in the alloy as opposed to pure metal. Second, we have examined acrolein hydrogenation as a test reaction for an examination of alloy effects and have examined the full reaction mechanism over Ag(111), Ag3In(111) and AgIn2(110) surfaces. Acrolein hydrogenation can proceed via two paths as either the aldehyde functionality (forming propanal) or the double bond (forming propenol or allyl alcohol) may be hydrogenated. Furthermore there are two intermediates along each path as the first hydrogen is added in a different location than the second location (hydroxyallyl, allyloxy, 1-formylethyl and 2-formylethyl). Previously Rosch and co-workers analyzed this reaction network over Ag(110) and looked at the effect of subsurface oxygen and found that the barriers for these reactions increased in the presence of sub-surface oxygen but that . Our work follows that of Rosch, moving to Ag(111) (the thermodynamically preferred surface of Ag) and compares Ag with AgIn alloy surfaces as AgIn alloys have been shown to exhibit supe rior selectivity for allyl alcohol. Our initial results suggest that the activity of the Ag3In (111) and AgIn2(110) surfaces will actually be lower than Ag(111) as all barriers rise. However, the presence of In does shift the selectivity as the barrier to formation of allyloxy falls from 0.93 eV to 0.21 eVon AgIn2(110). Similarly the barriers to 1-formylethyl formation also fall from 0.64 eV to 0.34 eV. However, the lack of sensitivity to the barrier for the intermediates to propanal formation imply that the selectivity will greatly increase uon alloying. It is important to recognize that the calculations also suggest that the reactivity of the alloy will be slightly less than the pure metal due to the fact that H2 is harder to activate over the alloy. Calculations will continue on two fronts. First, we will continue our analysis of XANES data of alloys. Jeff Miller’s group has expanded their experimental study of PdX alloys to include PdAu, PdZn and PdCu. We will simulate XANES and PDOS of these alloy systems to improve our understanding of how alloying effects manifest themselves in alterations to the electronic structure. We have also begun to collect a great deal of XAS data on Ag nanoparticles. We have data at the K edge as well as both the L3 and L2 edges for a variety of particle sizes (1-10 nm). We are beginning to analyze this data and to use the EELS module within CASTEP to model the data and provide interpretation of the results. Finally we would like to correlate our calculations with pair distribution function measurements of Ag catalysts taken at the APS by Pete Chupas and co-workers. Second, we will continue to examine acrolein hydrogenation over Ag surfaces but our focus will now move to Ag(221), a stepped surface, which can be used as a model of smaller nanoparticles, in an effort to explain why the selectivity seems to decrease as the particle size decreases. Furthermore, our experiments with Marshall and Miller suggest that when allyl alcohol is used as the reactant it can easily isomerize to propanal. Therefore the purpose of the alloy may also be to restrict the degree of isomerization. One of goals for the coming year is to test this hypothesis and to determine how alloying affects the isomerization reaction. Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 450000 Q1: 100000 Q2: 100000 Q3: 100000 Q4: 150000 Justification: Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request from SepCFD
by accounts＠lcrc.anl.gov 13 Sep '11

13 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Kent E. Wardle Project Name: SepCFD Division: CSE Project title: CFD Simulation of Separations Processes Associated funding: - DOE-NE Fuel Cycle Research and Development (FCR&D) Program - DOE-NE Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program - DOE NEUP Program Other Systems: - local 8-core workstation for meshing, postprocessing, and small-scale development - MCS Full-disclosure (SiCortex 5832) [FELBM work only] Science: This project uses the open-source CFD package OpenFOAM (www.opencfd.co.uk) which is based on the finite volume solution method of the Navier-Stokes equations on arbitrary polyhedral, unstructured meshes for computational fluid dynamics simulations. OpenFOAM is capable of simulation of a wide range of physics and the focus in this project is on simulation of turbulent, multi-phase (liquid-liquid and liquid-liquid-air) mixing and separation. The specific application of interest is for liquid-liquid extraction processes employed in recycling of used nuclear fuel. The focus is on advanced multiphase simulations of flow in annular centrifugal contactors---a key piece of equipment for these processes. In addition to this more ‘traditional’ CFD approach, a small portion of the project seeks to explore advanced CFD methods using a finite-element based unstructured, lattice Boltzmann simulation method. This is promising technique which can bridge the gap between mole cular and continuum scales and can potentially allow much more efficient computational scaling than traditional CFD techniques. Project description: This project seeks to apply the open-source CFD package OpenFOAM to simulation of the complex, multiphase flow in liquid-liquid separations devices used for processing nuclear fuel via solvent extraction with a particular focus on simulations of the flow in the annular centrifugal contactor (https://sites.google.com/site/kwardleweb/research/centrifugal-contactor) For such processes, complex physical phenomena including free surface flow and liquid-liquid droplet breakup and coalescence must be incorporated. Accurate simulation of such physics requires fine meshes to resolve phase boundaries as well as efficient computational performance to enable transient simulations spanning several seconds of flow time despite the very small time steps that are required (~10-6 s). The specific simulation techniques to be used for the OpenFOAM simulations are based on the Volume of Fluid (VOF) method with Large Eddy Simulation (LES) of turbulence. As part of FY11 w ork, a hybrid multiphase CFD method which couples multifluid (per-phase momentum equations) with VOF interface sharpening for selected phase interfaces was developed. With this new solver, a three phase system can be modeled enforcing a sharp interface for liquid–air interfaces and at the same time allow interphase dispersion and mixing for the liquid–liquid flow. The code package OpenFOAM uses a C++ object-oriented framework with dynamically linked libraries and high-level solvers to enable the user to write custom solvers and combine various physics models and equations enabling the evaluation of unique combinations of models such as are required for the development of advanced liquid-liquid mixing simulation capability as targeted in this work. Work during FY12 will focus on three-phase (liquid-liquid-air) simulations of the coupled mixing zone and separation zone of the annular centrifugal contactor using the newly developed coupled multifluid-VOF solver. The first part of the year will be spent on testing of the base solver after which several next-stage enhancements will be made. This includes the development of methods for switching between dispersed phase modeling and sharp interface modeling. The main goal for FY12 work will be the implementation of polydisperse droplet capturing capability including models for droplet breakup and coalescence leading to ultimate prediction of liquid—liquid interfacial area. This allocation supports nuclear fuel cycle simulations efforts under DOE-NE as well as potential collaborations with DOE-EM sites such as Savannah River where centrifugal contactors and other multiphase separators are in use. The simulations performed here will also support ongoing FY12 experimental work in CSE led by the PI aimed at obtaining detailed multiphase measurements in an engineering-scale annular centrifugal contactor using electrical tomographic techniques. It is hoped that the experimental effort can provide data for validation of the advanced multiphase CFD models developed as part of this work. Aside from the work outlined above, one additional component of this project seeks to explore 'advanced' CFD techniques which may be more inherently suited to massive-scale parallel computations. One such advanced method is based on a finite element, unstructured method for solution of the discrete Boltzmann Equation along with a free-energy based multiphase simulation technique. This method does not require a global pressure solve and depends primarily on nearest neighbor information allowing it to exhibit more ideal parallel scaling. While to-date many of these simulations have been done on other systems (e.g. full-disclosure), a small fraction of the project allocation may also be used for this developmental effort. This portion of the project has received independent funding from the DOE Nuclear Energy University Programs (NEUP) under a three-year collaboration beginning in FY12 with Dr. Taehun Lee of City College of New York. As this part of the work grows, it may be necessary to break this out into a separate allocation. This project has one PI (Wardle) and may have at most 1-2 additional participating researchers, collaborators, or students. Project URL: http://sites.google.com/site/kwardleweb/research/cfd Current FY Hours Used: undetermined amount New FY Requested allocation: 475000 Q1: 150000 Q2: 75000 Q3: 100000 Q4: 150000 Justification: The OpenFOAM code has been found to scale quite well on a number of different computational systems. The Volume of Fluid technique combined with the fine mesh resolution required for droplet and interface tracking necessitate simulation timesteps on the order of microseconds. As such, typical runs require about 100 wall hours for every 1 second of simulated flow time. On Fusion with more recent versions of the code with minor enhancements, we have observed that this can be reduced to ~50 hours/1 second of flow. A plot showing a comparison of the scaling (strong) of a characteristic OpenFOAM simulation (VOF interFoam solver) for a relatively small-size problem (530K tetrahedral cells) is posted here: www.mcs.anl.gov/~wardle/scaling_ann3d_530K_cosmeaFdSurveyorFusion.png . Note that the number of processors has been scaled to 2.0Ghz equivalents. OpenFOAM performs quite well on Fusion. During FY11 work, a number of runs using polyhedral meshes on the order of 3-5M cells were done on as many as 384 processors. Due to time step limitations of free-surface simulation methods, typical runs will only have meshes on the order of 1M cells (~6M points for polyhedral cells) and run on ~200 processors. As the newly developed solver is more computationally intensive (per-phase momentum equations, plus additional droplet balances in the future) the scaling will need to be explored again to ensure the optimum number of processors are used. Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request from SHARP_Neutronics
by accounts＠lcrc.anl.gov 13 Sep '11

13 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Mike Smith Project Name: SHARP_Neutronics Division: NE Project title: SHARP - Neutronics and CFD Coupling Associated funding: DOE-Nuclear Energy Other Systems: Science: To produce detailed, repeatable validation problems for the DeCART code on common thermal reactors such as Pressurized Water Reactors (PWRs), Boiling Water Reactors (BWRs), and Very High Temperature Reactors (VHTRs). Some amount of this work will require using the multi-physics coupling capability which links DeCART to STAR-CCM+. To continue the validation process of PROTEUS by modeling drawer-wise homogenized Zero Power Reactors (ZPR), Zero Power Plutonium Reactors (ZPPR) and assembly homogenized fast reactor models. ZPPR-21, ZPPR-15, ZPR-6 and ZPR-9 are the targeted experiments which include criticality estimates and reaction rate (foil) measurements. MONJU restart calculations and some select EBR-II and PHENIX calculations are also being considered. Project description: The SHARP project is funded under the neutronics component of NEAMS which is a program under the Advanced Modeling and Simulation Office (AMSO) of DOE-NE. The projects funded this year include verification and validation work on the DeCART thermal reactor analysis tool and follow on validation work for the PROTEUS fast reactor analysis tool (used to call this UNIC). We currently have three different versions of DeCART specific for treating PWR, BWR, and VHTR reactors. The NEAMS objective is setup verification problems for each version which will be done on a local NE machine. In addition to this we are going to produce validation calculations which provide information about the fidelity and validity of the DeCART tool when applied to the various thermal reactor concepts. These validation calculations include code to code comparisons (likely against Monte Carlo) and comparisons with experiments. It is this latter task that we need time on fusion to accomplish the work. In addition to these verification and validation work, an additional task is focused on performing a coupled thermal-hydraulic, neutronics demonstration calculation. The PROTEUS work was previously being done on BlueGene/P and considered homogenized and heterogeneous problem modeling. The change in focus of NEAMS negates the importance of the heterogeneous modeling at this time (it perhaps will be revisited in the exa-scale hub), but the homogeneous modeling requirements are still necessary and can be accomplished on Fusion. Previous to FY10, the NEAMS work was heavily focused on code development with only minor consideration to verification and validation of the toolset. In FY10, some effort was devoted to building homogeneous models where both criticality and detailed foil measurements provide the reference solution. Given the complexity of the physical data and inherent errors, the practical method for building a validation case for neutronics is to use the tool on a wide range of experiments that are similar to the proposed end use of the tool such that the typical bias in the modeling methodology can be estimated. Both DeCART and PROTEUS (MC2+SN2ND) can utilize 100s of processors with reasonable to excellent scalability. From the FY11 allocation, a full core VHTR calculation using DeCART is known took 1500 cpu-hours which is not practical on serial workstations. For drawer-homogenized ZPR-6/7 calculation, a SN2ND 70 group calculation with refined space-angle approximations required 11 cpu-core hours on fusion. These problems represent the large end range of calculations although we anticipate using 116 groups in SN2ND (25 core-hours) in some instances. For DeCART we will be running a minimum of three problems per reactor type each of which will likely require 5-10 attempts to adjust spatial and angular meshing. Consequently, we can expect to spend on the upper range of 135,000 core-hours on the DeCART work. The additional coupling calculations should be solvable using this same time assuming that we can request additional time as necessary. For SN2ND, we have effectively 15 ZPR/ZPPR pr oblems (configuration + experiment) we want to run in FY12, each of which will require 25 individual calculations (most taking less than 11 cpu-core hours) to adjust the spatial, angular, and energy meshing. In total we anticipate the PROTEUS modeling will require a maximum of 4000 core-hours, however, from past experience there will be some desire to attempt some partially heterogeneous calculations on the foil calculations which can dramatically increase the cpu-core hours. As a consequence, 5000 core-hours is not an unreasonable estimate of the total time required by PROTEUS on fusion. In total, we believe that 140,000 core-hours will be sufficient for this work where the DeCART work will primarily fall in the first three quarters and the PROTEUS work will be spread out evenly over the full year. Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 140000 Q1: 25000 Q2: 40000 Q3: 40000 Q4: 35000 Justification: Thank You, The LCRC Accounts System

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New LCRC report submitted for SepMD
by support＠lcrc.anl.gov 13 Sep '11

13 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=SepMD

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New LCRC report submitted for Collider_Processes
by support＠lcrc.anl.gov 12 Sep '11

12 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=Collider_Proc…

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[LCRC Accounts] Yearly Allocation Request from Collider_Processes
by accounts＠lcrc.anl.gov 12 Sep '11

12 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Edmond Berger Project Name: Collider_Processes Division: HEP Project title: Simulations of High Energy Collider Physics Processes Associated funding: Research in the HEP Division at Argonne is funded by the U.S. Department of Energy, Division of High Energy Physics, under Contract No.DE-AC-02-06CH11357. Other Systems: Modest Pentium 4 processors in the Argonne HEP Division. Science: The Large Hadron Collider (LHC)is scheduled to begin proton-proton collisions in 2008 at a center of mass energy of 14 TeV, seven times that of the Fermilab Tevatron, currently the world's highest energy particle accelerator. The LHC offers the opportunity for a definitive examination of the mechanism by which the mass of elementary particles is generated, and it will allow exploration of the energy domain in which supersymmetry, extra space-time dimensions, and dark matter may be manifested in the laboratory. Supersymmetry is the leading candidate for new high energy physics that goes beyond the Standard Model description of particle physics. This theory predicts the existence of a significant number of new particles that should be observed in the energy domain accessible at the LHC. Uncertainties in the current estimates of the supersymmetry processes themselves, and the Standard Model backgrounds to many signatures of new physics, range from tens of percent t o order-of-magnitude estimates. Significantly improved understanding of the Standard Model backgrounds is vital for establishing a discovery. The Principal Investigator Edmond Berger of the Argonne High Energy Physics Division, and his collaborator Professor Zack Sullivan of the Illinois Institute of Technology, are actively engaged in providing these much improved quantitative predictions. Project description: Extend calculations of collider physics simulations in response to recent results from experiments at the Large Hadron Collider. Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 6000 Q1: 1500 Q2: 1500 Q3: 1500 Q4: 1500 Justification: Thank You, The LCRC Accounts System

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[LCRC Accounts] Project Request: RTRC_neutronics
by accounts＠lcrc.anl.gov 12 Sep '11

12 Sep '11

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: Aurelien Bergeron Applicant's institution: ANL Applicant's division: NE Project Name: RTRC_neutronics Project title: RTRC - Neutronics and Depletion Coupling Associated funding: DOE NNSA NA-212 Other Systems: The Research and Test Reactor Conversion (RTRC) Department in NE operates several program-specific, small scale Linux clusters. There is no specific limitation in term of time and number of nodes used by each single user. However, machines must are shared in order to let every users run their jobs for the tens of active projects at any given time. Science: To study the behavior of research and test reactor in steady state and through time by coupling neutronic Monte Carlo and depletion calculations. Project description: As a part of the Global Threat Reduction Initiative (GTRI), in support of our national security efforts, the mission of the Reactor Conversion Program is to minimize, and to the extent possible, eliminate the use of Highly Enriched Uranium (HEU) fuel in civil applications converting research and test reactors to the use of Low Enriched Uranium (LEU) fuel. Typically the reactor conversion studies are divided in three main steps: 1) Study the reactor in its current, HEU fueled configuration in order to validate tools and models. 2) Study the impact of the conversion on performance and safety and; 3) If necessary, find solutions to improve reactor performance and safety. Because most of the reactors in the scope of the GTRI Reactor Conversion Program have a unique design, the conversion analyses of those machines require to develop specific tools and/or calculations schemes. To study the conversion of some High Performance Reactors (HPR), it will be necessary to study their behavior in both steady state and their evolution through time. This can be done by coupling Monte Carlo and depletion calculations. Two main calculation schemes have been elaborated at ANL: 1) A coupling of MCNP (neutronic steady state software developed by LANL) with REBUS-MCNP (depletion+communication with MCNP, developed by ANL). 2) A coupling MCNP with ORIGEN2 (depletion, developed by ORNL) and VESTA (communication MCNP-ORIGEN, developed by IRSN, France). Both calculation schemes are expected to be used intensively. Our users have received licenses to run these proprietary software. We will need to install the codes on a restricted project directory on the Fusion cluster. Our depletion codes do not require very large runtime memory. We normally use large sampling sizes in our Monte Carlo calculations to reduce communication time. Depending on the nature of the problem and the accuracy that is required, a single job can consume 50 to 1000 core-hours on the Fusion cluster. Two project members are expected for now but it is possible than a more will join the group during the year. Project URL: http://www.rertr.anl.gov Requested allocation: 80000 Q1: 20000 Q2: 20000 Q3: 20000 Q4: 20000 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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