February 2016 - Allocations-admins - mailman3.cels.anl.gov

Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by John Blaas 12 Feb '16

12 Feb '16

100K granted for the remainder of Q2 JB On Fri, Feb 12, 2016 at 9:17 AM, Bair, Raymond A. <rbair(a)anl.gov> wrote: > This request looks OK to me. Suggest we approve. > > Ray > > ----------------------------------------- > Ray Bair > Computing, Environment, and Life Sciences > Argonne National Laboratory > and the University of Chicago > TCS Building 240, Room 4122 > 9700 South Cass Avenue > Argonne, IL 60439 > email: rbair(at)anl.gov > Phone: (630)252-5751 > > > > > > On 2/11/16, 5:33 PM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of > accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf > of accounts(a)lcrc.anl.gov> wrote: > >>Hello, >> >>A change in allocation has been requested: >> >> Requester: neveu (Nicole Neveu) >> Project: AWA-beam-dynamics >> Title: High Accuracy Beam Dynamic Simulations >> Description: We intend to use this model to study the 3D effects of >>various asymmetric beamline components that cannot be accurately modeled >>in the usual 2D codes. Unlike 2-dimensional codes, OPAL is not >>restricted in the kind of geometry it can model. It is therefore possible >>to consider arbitrary shapes and their inclusion in beam dynamics and >>particle tracking calculations. Further, we plan to develop OPAL-T beyond >>its current capabilities to include realistic wakefield effects. Current >>wakefield effects are calculated with the rigid bunch approximation which >>is valid when the wakefield is weak and the beam is rigid. In the case >>of the Argonne Wakefield Accelerator (AWA) this assumption is not valid >>since the wakefield is very strong and the beam energy is low. >> The OPAL codes work very efficiently on parallel processors. >>It uses MPI and has demonstrated good speed-up efficiencies for over 1000 >>CPU's on the Cray XT5 at the Swiss Center for Scientific Computing. >> >> Current: undetermined amount >>Justification: Our group started using the simulation code OPAL-T five >>months ago. We are still learning where we can save time through >>optimization of initial conditions. This includes not running redundant >>sections of beamline during parameter scans, and choosing time step or >>mesh sizes wisely. We are currently working on a benchmark that will >>quantifying the relationship between parameter choices and run time. >> >> Requested: 10000 >> >>A specific reason has been given: >>We currently have a balance of 783 hours left, and we expect we may run >>out of hours before our second allocation is released in April. We would >>like to continue running simulations if possible. >> >>This needs to be approved and the final allocation amount decided upon. >> >>Thank You, >>The LCRC Accounts System >>_______________________________________________ >>allocations-admins mailing list >>allocations-admins(a)lcrc.anl.gov >>https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins > > _______________________________________________ > allocations-admins mailing list > allocations-admins(a)lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins -- John Blaas Sr HPC Systems Administrator Computing, Environment and Life Sciences Building 240, 2141 9700 South Cass Avenue Argonne National Laboratory Argonne, IL 60439. 630-252-1177

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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by Bair, Raymond A. 12 Feb '16

12 Feb '16

This request looks OK to me. Suggest we approve. Ray ----------------------------------------- Ray Bair Computing, Environment, and Life Sciences Argonne National Laboratory and the University of Chicago TCS Building 240, Room 4122 9700 South Cass Avenue Argonne, IL 60439 email: rbair(at)anl.gov Phone: (630)252-5751 On 2/11/16, 5:33 PM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov> wrote: >Hello, > >A change in allocation has been requested: > > Requester: neveu (Nicole Neveu) > Project: AWA-beam-dynamics > Title: High Accuracy Beam Dynamic Simulations > Description: We intend to use this model to study the 3D effects of >various asymmetric beamline components that cannot be accurately modeled >in the usual 2D codes. Unlike 2-dimensional codes, OPAL is not >restricted in the kind of geometry it can model. It is therefore possible >to consider arbitrary shapes and their inclusion in beam dynamics and >particle tracking calculations. Further, we plan to develop OPAL-T beyond >its current capabilities to include realistic wakefield effects. Current >wakefield effects are calculated with the rigid bunch approximation which >is valid when the wakefield is weak and the beam is rigid. In the case >of the Argonne Wakefield Accelerator (AWA) this assumption is not valid >since the wakefield is very strong and the beam energy is low. > The OPAL codes work very efficiently on parallel processors. >It uses MPI and has demonstrated good speed-up efficiencies for over 1000 >CPU's on the Cray XT5 at the Swiss Center for Scientific Computing. > > Current: undetermined amount >Justification: Our group started using the simulation code OPAL-T five >months ago. We are still learning where we can save time through >optimization of initial conditions. This includes not running redundant >sections of beamline during parameter scans, and choosing time step or >mesh sizes wisely. We are currently working on a benchmark that will >quantifying the relationship between parameter choices and run time. > > Requested: 10000 > >A specific reason has been given: >We currently have a balance of 783 hours left, and we expect we may run >out of hours before our second allocation is released in April. We would >like to continue running simulations if possible. > >This needs to be approved and the final allocation amount decided upon. > >Thank You, >The LCRC Accounts System >_______________________________________________ >allocations-admins mailing list >allocations-admins(a)lcrc.anl.gov >https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 11 Feb '16

11 Feb '16

Hello, A change in allocation has been requested: Requester: neveu (Nicole Neveu) Project: AWA-beam-dynamics Title: High Accuracy Beam Dynamic Simulations Description: We intend to use this model to study the 3D effects of various asymmetric beamline components that cannot be accurately modeled in the usual 2D codes. Unlike 2-dimensional codes, OPAL is not restricted in the kind of geometry it can model. It is therefore possible to consider arbitrary shapes and their inclusion in beam dynamics and particle tracking calculations. Further, we plan to develop OPAL-T beyond its current capabilities to include realistic wakefield effects. Current wakefield effects are calculated with the rigid bunch approximation which is valid when the wakefield is weak and the beam is rigid. In the case of the Argonne Wakefield Accelerator (AWA) this assumption is not valid since the wakefield is very strong and the beam energy is low. The OPAL codes work very efficiently on parallel processors. It uses MPI and has demonstrated good speed-up efficiencies for over 1000 CPU's on the Cray XT5 at the Swiss Center for Scientific Computing. Current: undetermined amount Justification: Our group started using the simulation code OPAL-T five months ago. We are still learning where we can save time through optimization of initial conditions. This includes not running redundant sections of beamline during parameter scans, and choosing time step or mesh sizes wisely. We are currently working on a benchmark that will quantifying the relationship between parameter choices and run time. Requested: 10000 A specific reason has been given: We currently have a balance of 783 hours left, and we expect we may run out of hours before our second allocation is released in April. We would like to continue running simulations if possible. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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Re: [allocations-admins] [LCRC Accounts] Project Request: madman
by John Blaas 11 Feb '16

11 Feb '16

Granted full 60k for the remainder of the year. JB On Thu, Feb 11, 2016 at 2:00 PM, Bair, Raymond A. <rbair(a)anl.gov> wrote: > This looks fine to me. Suggest we approve. > > Ray > > > > > > On 2/11/16, 9:13 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of > accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf > of accounts(a)lcrc.anl.gov> wrote: > >>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: Angel Yanguas-Gil >>Applicant's institution: ANL >> Applicant's division: ES >> Project Name: madman >> Project title: Modeling the advanced manufacturing of energy >>materials >>Modeling the advanced manufacturing of energy materials >>Modeling the advanced manufacturing of energy materials >> Associated funding: This effort is supported through LDRD and EERE >>funds >> Other Systems: None >> Science: This project aims at developing multiscale >>predictive models for advanced manufacturing applications, specifically >>nanomanufacturing and additive manufacturing. Our research has two goals: >>1) improve the current understanding of the fundamental processes >>controlling the synthesis and microstructure of materials, 2) develop >>models that can predict the scale up of manufacturing process as well as >>the performance of the resulting materials. >> Project description: Confidence on the interplay between synthesis, >>microstructure, and materials performance and reliability is crucial for >>the adoption of advanced manufacturing techniques at an industrial scale. >> >>One of the challenges of novel advanced manufacturing techniques is that >>by departing from traditional materials and synthesis techniques, the >>interplay between these three elements is not well understood. This >>compromises our ability to understand and predict the >>scalability of the process and long-term reliability of the materials. >> >>The goal of this project is to develop models that help us strengthen our >>understanding on the impact of synthesis conditions on the microstructure >>and properties of the material. >>In this project we are going to focus on processes that integrate gas >>phase synthesis >>techniques, such as Atomic Layer Deposition, >>and MOCVD, with other processes such as 3D printing or nanopatterning and >>etching to achieve >>novel architectures and materials. These processes are at the core of >> two SI-LDRDs and one EERE-funded project, and they require the >>integration of >>processes taking place at multiple length and timescales. >> >>Our current approach uses the following tools: >> >>- OpenFOAM: we have developed solvers based on OpenFOAM that bridge the >>reactor-scale with feature scale to study the synthesis of high surface >>area nanomaterials and 3D substrates using ALD and CVD. These models have >>been fully tested and validated in our lab, and the scalability of >>OpenFOAM has been well established. >> >>- LAMMPS: for atomistic simulations of bulk and surfaces. We use LAMMPS >>to understand the microstructure and stability of the resulting materials >>and calculate some of the input >>data required for other models. >> >>- Kinetic Monte Carlo simulations: we are focusing o approaches to >>simulate materials growth that accelerate the speed of calculations by >>focusing on the growth timescales and treating faster processes under a >>quasiequilibrium approximation. This acceleration in terms of timescale >>comes at the expense of a greater computational expense of each Monte >>Carlo step. However, such cost can be distributed more efficiently among >>multiple processors and cores. >> >>The time allocated for this proposal will be initially devoted to >>demostrate the ability to efficiently run our models in LCRC's clusters >>and benchmark the scale up of our simulations. We will then focus on >>solving larger scale problems that are not feasible in our 8-core >>workstations. >> >> Industry partnership: >> Project URL: >> Requested allocation: 60000 >> Q1: 0 >> Q2: 10000 >> Q3: 20000 >> Q4: 30000 >> Justification: >> Storage requirements: >> >> >>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 >>_______________________________________________ >>allocations-admins mailing list >>allocations-admins(a)lcrc.anl.gov >>https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins > > _______________________________________________ > allocations-admins mailing list > allocations-admins(a)lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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Re: [allocations-admins] [LCRC Accounts] Project Request: madman
by Bair, Raymond A. 11 Feb '16

11 Feb '16

This looks fine to me. Suggest we approve. Ray On 2/11/16, 9:13 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov> wrote: >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: Angel Yanguas-Gil >Applicant's institution: ANL > Applicant's division: ES > Project Name: madman > Project title: Modeling the advanced manufacturing of energy >materials >Modeling the advanced manufacturing of energy materials >Modeling the advanced manufacturing of energy materials > Associated funding: This effort is supported through LDRD and EERE >funds > Other Systems: None > Science: This project aims at developing multiscale >predictive models for advanced manufacturing applications, specifically >nanomanufacturing and additive manufacturing. Our research has two goals: >1) improve the current understanding of the fundamental processes >controlling the synthesis and microstructure of materials, 2) develop >models that can predict the scale up of manufacturing process as well as >the performance of the resulting materials. > Project description: Confidence on the interplay between synthesis, >microstructure, and materials performance and reliability is crucial for >the adoption of advanced manufacturing techniques at an industrial scale. > >One of the challenges of novel advanced manufacturing techniques is that >by departing from traditional materials and synthesis techniques, the >interplay between these three elements is not well understood. This >compromises our ability to understand and predict the >scalability of the process and long-term reliability of the materials. > >The goal of this project is to develop models that help us strengthen our >understanding on the impact of synthesis conditions on the microstructure >and properties of the material. >In this project we are going to focus on processes that integrate gas >phase synthesis >techniques, such as Atomic Layer Deposition, >and MOCVD, with other processes such as 3D printing or nanopatterning and >etching to achieve >novel architectures and materials. These processes are at the core of > two SI-LDRDs and one EERE-funded project, and they require the >integration of >processes taking place at multiple length and timescales. > >Our current approach uses the following tools: > >- OpenFOAM: we have developed solvers based on OpenFOAM that bridge the >reactor-scale with feature scale to study the synthesis of high surface >area nanomaterials and 3D substrates using ALD and CVD. These models have >been fully tested and validated in our lab, and the scalability of >OpenFOAM has been well established. > >- LAMMPS: for atomistic simulations of bulk and surfaces. We use LAMMPS >to understand the microstructure and stability of the resulting materials >and calculate some of the input >data required for other models. > >- Kinetic Monte Carlo simulations: we are focusing o approaches to >simulate materials growth that accelerate the speed of calculations by >focusing on the growth timescales and treating faster processes under a >quasiequilibrium approximation. This acceleration in terms of timescale >comes at the expense of a greater computational expense of each Monte >Carlo step. However, such cost can be distributed more efficiently among >multiple processors and cores. > >The time allocated for this proposal will be initially devoted to >demostrate the ability to efficiently run our models in LCRC's clusters >and benchmark the scale up of our simulations. We will then focus on >solving larger scale problems that are not feasible in our 8-core >workstations. > > Industry partnership: > Project URL: > Requested allocation: 60000 > Q1: 0 > Q2: 10000 > Q3: 20000 > Q4: 30000 > Justification: > Storage requirements: > > >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 >_______________________________________________ >allocations-admins mailing list >allocations-admins(a)lcrc.anl.gov >https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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[LCRC Accounts] Project Request: madman
by accounts＠lcrc.anl.gov 11 Feb '16

11 Feb '16

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: Angel Yanguas-Gil Applicant's institution: ANL Applicant's division: ES Project Name: madman Project title: Modeling the advanced manufacturing of energy materials Modeling the advanced manufacturing of energy materials Modeling the advanced manufacturing of energy materials Associated funding: This effort is supported through LDRD and EERE funds Other Systems: None Science: This project aims at developing multiscale predictive models for advanced manufacturing applications, specifically nanomanufacturing and additive manufacturing. Our research has two goals: 1) improve the current understanding of the fundamental processes controlling the synthesis and microstructure of materials, 2) develop models that can predict the scale up of manufacturing process as well as the performance of the resulting materials. Project description: Confidence on the interplay between synthesis, microstructure, and materials performance and reliability is crucial for the adoption of advanced manufacturing techniques at an industrial scale. One of the challenges of novel advanced manufacturing techniques is that by departing from traditional materials and synthesis techniques, the interplay between these three elements is not well understood. This compromises our ability to understand and predict the scalability of the process and long-term reliability of the materials. The goal of this project is to develop models that help us strengthen our understanding on the impact of synthesis conditions on the microstructure and properties of the material. In this project we are going to focus on processes that integrate gas phase synthesis techniques, such as Atomic Layer Deposition, and MOCVD, with other processes such as 3D printing or nanopatterning and etching to achieve novel architectures and materials. These processes are at the core of two SI-LDRDs and one EERE-funded project, and they require the integration of processes taking place at multiple length and timescales. Our current approach uses the following tools: - OpenFOAM: we have developed solvers based on OpenFOAM that bridge the reactor-scale with feature scale to study the synthesis of high surface area nanomaterials and 3D substrates using ALD and CVD. These models have been fully tested and validated in our lab, and the scalability of OpenFOAM has been well established. - LAMMPS: for atomistic simulations of bulk and surfaces. We use LAMMPS to understand the microstructure and stability of the resulting materials and calculate some of the input data required for other models. - Kinetic Monte Carlo simulations: we are focusing o approaches to simulate materials growth that accelerate the speed of calculations by focusing on the growth timescales and treating faster processes under a quasiequilibrium approximation. This acceleration in terms of timescale comes at the expense of a greater computational expense of each Monte Carlo step. However, such cost can be distributed more efficiently among multiple processors and cores. The time allocated for this proposal will be initially devoted to demostrate the ability to efficiently run our models in LCRC's clusters and benchmark the scale up of our simulations. We will then focus on solving larger scale problems that are not feasible in our 8-core workstations. Industry partnership: Project URL: Requested allocation: 60000 Q1: 0 Q2: 10000 Q3: 20000 Q4: 30000 Justification: Storage requirements: 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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Re: [allocations-admins] RUSH: Project Allocation Request for MBM_CEES2 and LiBattModeling
by John Blaas 10 Feb '16

10 Feb '16

150K granted for MBM_CEES2 for the remainder of Q2 and 200K granted for LiBattModeling for the remainder of Q2 JB On Wed, Feb 10, 2016 at 8:27 AM, Bair, Raymond A. <rbair(a)anl.gov> wrote: > Lets go with 150K for MBM_CEES2 and 200K for LiBattModeling. > > They wrote to me again today and are in great need. > > Ray > > > > > > On 2/8/16, 12:53 PM, "Iddir, Hakim H." <iddir(a)anl.gov> wrote: > >>Dear Ray, >> >>Thank you, I actually would need the requested amounts for both projects, >>as we are planing to start the simulations of surfaces-eletrolyte >>molecules interactions, and we are also expecting a new postdoc to work >>on these projects and will submit a new proposals for new projects as >>well. >> >>Thank you again, >> >>Best Regards, >> >>Hakim >> >>________________________________________ >>From: Bair, Raymond A. >>Sent: Monday, February 08, 2016 12:23 PM >>To: Iddir, Hakim H. >>Cc: LCRC Allocations Admins >>Subject: Re: Project Allocation Request for MBM_CEES2 and LiBattModeling >> >>Dear Hakim Iddir, >> >>We received your requests for additional time for projects MBM_CEES2 >>(150K) and LiBattModeling (232K). For each of these projects, how much of >>the requested time do is needed between now and March 31 when the 2nd >>quarter ends? The Allocations Committee meets in mid-March to make >>decisions about Q3 and Q4, so we just need to consider Q2 at this point. >> >>Best regards, >> >>Ray >> >>----------------------------------------- >>Ray Bair >>Computing, Environment, and Life Sciences >>Argonne National Laboratory >>and the University of Chicago >>TCS Building 240, Room 4122 >>9700 South Cass Avenue >>Argonne, IL 60439 >>email: rbair(at)anl.gov >>Phone: (630)252-5751 >> >> > > _______________________________________________ > allocations-admins mailing list > allocations-admins(a)lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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Re: [allocations-admins] RUSH: Project Allocation Request for MBM_CEES2 and LiBattModeling
by Bair, Raymond A. 10 Feb '16

10 Feb '16

Lets go with 150K for MBM_CEES2 and 200K for LiBattModeling. They wrote to me again today and are in great need. Ray On 2/8/16, 12:53 PM, "Iddir, Hakim H." <iddir(a)anl.gov> wrote: >Dear Ray, > >Thank you, I actually would need the requested amounts for both projects, >as we are planing to start the simulations of surfaces-eletrolyte >molecules interactions, and we are also expecting a new postdoc to work >on these projects and will submit a new proposals for new projects as >well. > >Thank you again, > >Best Regards, > >Hakim > >________________________________________ >From: Bair, Raymond A. >Sent: Monday, February 08, 2016 12:23 PM >To: Iddir, Hakim H. >Cc: LCRC Allocations Admins >Subject: Re: Project Allocation Request for MBM_CEES2 and LiBattModeling > >Dear Hakim Iddir, > >We received your requests for additional time for projects MBM_CEES2 >(150K) and LiBattModeling (232K). For each of these projects, how much of >the requested time do is needed between now and March 31 when the 2nd >quarter ends? The Allocations Committee meets in mid-March to make >decisions about Q3 and Q4, so we just need to consider Q2 at this point. > >Best regards, > >Ray > >----------------------------------------- >Ray Bair >Computing, Environment, and Life Sciences >Argonne National Laboratory >and the University of Chicago >TCS Building 240, Room 4122 >9700 South Cass Avenue >Argonne, IL 60439 >email: rbair(at)anl.gov >Phone: (630)252-5751 > >

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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by John Blaas 08 Feb '16

08 Feb '16

Additional 50k granted for Q2 JB On Fri, Feb 5, 2016 at 10:30 AM, accounts(a)lcrc.anl.gov <accounts(a)lcrc.anl.gov> wrote: > Hello, > > A change in allocation has been requested: > > Requester: wiringa (Robert Wiringa) > Project: qmc_for_nuclei > Title: Quantum Monte Carlo Calculations of Light Nuclei > Description: A) Electromagnetic form factors > > We are studying a variety of electromagnetic properties and transitions in light p-shell nuclei, including both one- and two-body charge and current operators that include the effect of meson-exchange currents. We are now starting a program to evaluate electromagnetic form factors in nuclei with 6 to 12 nucleons. These will allow us to extract nuclear magnetic radii and Zemach moments, which provide corrections to measurements of nuclear charge distributions in muonic-atom experiments. This work is supporting experiments at Argonne's ATLAS facility, at Jefferson Lab, and at TRIUMF. We expect to use 100,000 core hours for this work in FY16. > > B) Weak decays of light nuclei > > In a related development, we are studying the weak decays of light nuclei, including beta-decay in 3H, 6He, 7Li, 8Li, 8B, 9Li and 9C and electron capture in 7Be. The lighter nuclei have been studied previously and the bulk of the experimental value is given by one-body Fermi and Gamow-Teller terms. However, these provide only half the experimental matrix element in A=8,9 nuclei, so we are working to incorporate two-body meson-exchange current contributions and to look at additional terms like weak magnetism. This work is relevant to ongoing experiments at ATLAS and at U. of Washington. We would like 80,000 core hours for this project in FY16. > > C) A=11,12 nuclei > > Extensive effort has gone into GFMC calculations of 0+ states in 12C using Intrepid and Mira, but only a few exploratory calculations of other A>10 nuclei have been made. We have made some progress on trial functions for 11B, but other cases like 11Be and 12Be remain to be studied, particularly wave functions that are "clusterized." The VMC codes for these trial functions are running efficiently using a mix of OpenMP inside nodes and MPI between nodes. We would like 60,000 cpu hours for this work in FY16. > > D) Cluster VMC for medium-mass nuclei > > In the past year we have revived an old program for cluster VMC calculations of medium-mass nuclei. A major focus has been on incorporating an optimization scheme for finding the best variational wave function parameters for a given nucleus and testing it in 4He where we can compare with our regular VMC code. We have also used the CVMC to evaluate momentum distributions in 16O and 40Ca. Our long term goal is to compute nuclear matrix elements for double-beta decay in 48Ca and for neutrino scattering on 40Ar, which is the preferred target for next-generation neutrino oscillation experiments. We would like 60,000 cpu hours to continue this work in FY16. > > E) Nuclear Structure with chiral effective field theory > > Our VMC and GFMC nuclear structure studies have been made almost exclusively with a Hamiltonian consisting of our local coordinate-space Argonne v18 two-nucleon potential and Urbana/Illinois three-nucleon potentials. Over the last decade, an alternative method of constructing nuclear Hamiltonians has been developed by others based on chiral effective field theory, but such potentials have generally been non-local momentum-space models not suitable for use with our methods. However, coordinate-space versions of these potentials are now becoming available, and a postdoc with expertise in this area is now joining. We want to test this alternate type of Hamiltonian's predictions for a full range of binding energy, electroweak transition, and other properties in the A=6-12 nuclei and will need 100,000 cpu hours in FY16 for this purpose. > Current: undetermined amount > Justification: > > Requested: 50000 > > A specific reason has been given: > We had much heavier than anticipated usage during this quarter, and have run our 69,750 hours down to 6,500 already. We still have lots of calculations to do. > > This needs to be approved and the final allocation amount decided upon. > > Thank You, > The LCRC Accounts System > _______________________________________________ > allocations-admins mailing list > allocations-admins(a)lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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Re: [allocations-admins] Project Allocation Request for MBM_CEES2 and LiBattModeling
by Bair, Raymond A. 08 Feb '16

08 Feb '16

Dear Hakim Iddir, We received your requests for additional time for projects MBM_CEES2 (150K) and LiBattModeling (232K). For each of these projects, how much of the requested time do is needed between now and March 31 when the 2nd quarter ends? The Allocations Committee meets in mid-March to make decisions about Q3 and Q4, so we just need to consider Q2 at this point. Best regards, Ray ----------------------------------------- Ray Bair Computing, Environment, and Life Sciences Argonne National Laboratory and the University of Chicago TCS Building 240, Room 4122 9700 South Cass Avenue Argonne, IL 60439 email: rbair(at)anl.gov Phone: (630)252-5751

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