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

Re: [allocations-admins] [LCRC Accounts] Project Request: Cosmology
by John Valdes 12 Apr '10

12 Apr '10

On Mon, Apr 12, 2010 at 09:14:14PM -0500, Bair, Raymond A. wrote: > Yes, 150K seems right for a start. OK; should I put Steve as contact? Is priority 3 good? John > On 4/12/10 7:15 PM, "John Valdes" <valdes(a)mcs.anl.gov> wrote: > > > Any decision on this project? The request came in the day after the > > allocation meeting. If we approve, we need to decide: > > > > Amount: > > Contact: > > Cat/Subcat: > > Priority: > > > > The request sounds good to me; I would say 150K, either Ray or Steve > > Pieper as POC, P:Phy, and 3. > > > > John > > > > On Fri, Apr 02, 2010 at 04:09:21PM -0500, 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: Joe Bernstein > >> Applicant's institution: ANL > >> Applicant's division: HEP > >> Project Name: Cosmology > >> Project title: Harnessing Computational Cosmology Simulations to > >> Investigate Cosmic Evolution > >> Associated funding: None external to ANL sources > >> Other Systems: ANL Blue Gene/P (renewal in preparation for ~300000 > >> CPU-hrs over 4 months) > >> Science: The evidence for dark energy represents one of the > >> greatest mysteries of modern science. The proposed research will probe the > >> implications of > >> dark energy via analysis of computational cosmology simulations. Several > >> independent observational methods provide evidence pointing to the conclusion > >> that 95% of the current energy density of the Universe exists as part of the > >> "dark sector" that is different from normal, i.e., > >> "baryonic," matter. In particular, the dark sector is thought to be comprised > >> of 22% "dark matter," which interacts with baryonic matter > >> ostensibly only through gravity, and 73% "dark energy," which experiences > >> gravity as a repulsive force. The nature of both dark sector components are > >> essentially complete unknowns. It is presently an exciting time to be > >> involved in cosmology because planned astronomical surveys will effectively > >> result in dark sector probes becoming systematics-limited, making numerical > >> simulations crucial to placing precision constraints on the dark sector. In > >> addition, particle physics theorists predict that the Large Hadron Collider > >> (LHC) and direct dark matter experiments may soon discover a dark matter > >> candidate particle. ANL HEP staff and collaborating U. Illinois faculty are > >> members of the Dark Energy Survey, which will provide the next generation of > >> dark energy and (indirect) dark matter data. Local scientific simulation > >> expertise and high-performance computing further make ANL ideally-suited to > >> pursue answers to questions about the dark sector. The focus of the > >> proposed research is the production and interpretation of computational > >> cosmology simulations in order to elucidate the nature of the dark sector. > >> Project description: The "Cosmology" project on fusion.lcrc.anl.gov > >> (hereafter, "fusion") is in support of the one of the main research efforts > >> of the PI as an ANL Computational Postdoctoral Fellow. The number of project > >> members will be 3-5. We will make use of the requested number of CPU-hrs > >> (275K) in efforts to generate initial conditions and verify scaling results > >> for cosmology simulations run on the ANL Blue Gene/P ("BG/P"). Toward this > >> end, we will harness piecewise-parabolic method (PPM) hydrodynamics and > >> N-body gravity solvers, MPI for inter-processor communication, and HDF5 to > >> implement parallel I/O. We will utilize both the C and FORTRAN90 programming > >> languages. > >> > >> Paul Ricker (U. Illinois) is a computational cosmology expert working with > >> Boyana Norris (MCS) on BG/P cosmology studies. The PI of this proposal > >> recently transitioned from a classification as an ANL Postdoctoral Appointee > >> to an ANL Computational Postdoctoral Fellow. His > >> new duties include collaborating on these efforts with the goal of submitting > >> a 2011 DOE INCITE proposal. The ultimate target of the BG/P > >> simulation effort is runs requiring PPM+N-body simulations with a 1 Gpc (1 pc > >> = 3.09x10^16 m) box size, 2048^3 grid cells, and 10^11 dark matter particles. > >> We anticipate employing fusion to generate initial conditions for a suite of > >> a few dozen BG/P simulations. Generating such initial conditions is memory > >> intensive and cannot currently be done on the BG/P. These requirements also > >> push the limits of existing codes. Scaling the cosmology runs to the target > >> level represents a marked increase relative to machines used to date. > >> Verifying scaling results, on a traditional Linux cluster such as fusion, > >> will constitute an important part of our BG/P studies. We are highly > >> confident of fusion's suitability for the proposed simulations because such > >> runs have been shown to scale to upwards of 4K CPUs on other Linux clusters. > >> > >> The scaling studies will require approximately 10 runs each for strong and > >> weak scaling for a total of ~20 runs. Based on Prof. Ricker's experience with > >> PPM+N-body simulations performed at Oak Ridge National Laboratory, we > >> estimate that a run with 2048^3 grid cells will cost approximately 400 > >> CPU-hrs per timestep and require ~30 time steps for a total of 12K CPU-hrs. > >> Assuming reasonable scaling, this implies a total cost of approximately 240K > >> CPU-hrs for the scaling study. Generating initial conditions will require a > >> significantly smaller cost by comparison. Thus, an allocation of 275K CPU-hrs > >> will enable significant research progress. > >> Project URL: > >> Requested allocation: 275000 > >> Justification: > >> > >> > >> The requester has used 0 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)lists.lcrc.anl.gov > >> https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins > > _______________________________________________ > > allocations-admins mailing list > > allocations-admins(a)lists.lcrc.anl.gov > > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins > > > ----------------------------------------- > Ray Bair > Computing, Environment, and Life Sciences > Argonne National Laboratory > and the University of Chicago > Building 240, Room 4126 > 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 Request: Cosmology
by Bair, Raymond A. 12 Apr '10

12 Apr '10

Yes, 150K seems right for a start. Ray On 4/12/10 7:15 PM, "John Valdes" <valdes(a)mcs.anl.gov> wrote: > Any decision on this project? The request came in the day after the > allocation meeting. If we approve, we need to decide: > > Amount: > Contact: > Cat/Subcat: > Priority: > > The request sounds good to me; I would say 150K, either Ray or Steve > Pieper as POC, P:Phy, and 3. > > John > > On Fri, Apr 02, 2010 at 04:09:21PM -0500, 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: Joe Bernstein >> Applicant's institution: ANL >> Applicant's division: HEP >> Project Name: Cosmology >> Project title: Harnessing Computational Cosmology Simulations to >> Investigate Cosmic Evolution >> Associated funding: None external to ANL sources >> Other Systems: ANL Blue Gene/P (renewal in preparation for ~300000 >> CPU-hrs over 4 months) >> Science: The evidence for dark energy represents one of the >> greatest mysteries of modern science. The proposed research will probe the >> implications of >> dark energy via analysis of computational cosmology simulations. Several >> independent observational methods provide evidence pointing to the conclusion >> that 95% of the current energy density of the Universe exists as part of the >> "dark sector" that is different from normal, i.e., >> "baryonic," matter. In particular, the dark sector is thought to be comprised >> of 22% "dark matter," which interacts with baryonic matter >> ostensibly only through gravity, and 73% "dark energy," which experiences >> gravity as a repulsive force. The nature of both dark sector components are >> essentially complete unknowns. It is presently an exciting time to be >> involved in cosmology because planned astronomical surveys will effectively >> result in dark sector probes becoming systematics-limited, making numerical >> simulations crucial to placing precision constraints on the dark sector. In >> addition, particle physics theorists predict that the Large Hadron Collider >> (LHC) and direct dark matter experiments may soon discover a dark matter >> candidate particle. ANL HEP staff and collaborating U. Illinois faculty are >> members of the Dark Energy Survey, which will provide the next generation of >> dark energy and (indirect) dark matter data. Local scientific simulation >> expertise and high-performance computing further make ANL ideally-suited to >> pursue answers to questions about the dark sector. The focus of the >> proposed research is the production and interpretation of computational >> cosmology simulations in order to elucidate the nature of the dark sector. >> Project description: The "Cosmology" project on fusion.lcrc.anl.gov >> (hereafter, "fusion") is in support of the one of the main research efforts >> of the PI as an ANL Computational Postdoctoral Fellow. The number of project >> members will be 3-5. We will make use of the requested number of CPU-hrs >> (275K) in efforts to generate initial conditions and verify scaling results >> for cosmology simulations run on the ANL Blue Gene/P ("BG/P"). Toward this >> end, we will harness piecewise-parabolic method (PPM) hydrodynamics and >> N-body gravity solvers, MPI for inter-processor communication, and HDF5 to >> implement parallel I/O. We will utilize both the C and FORTRAN90 programming >> languages. >> >> Paul Ricker (U. Illinois) is a computational cosmology expert working with >> Boyana Norris (MCS) on BG/P cosmology studies. The PI of this proposal >> recently transitioned from a classification as an ANL Postdoctoral Appointee >> to an ANL Computational Postdoctoral Fellow. His >> new duties include collaborating on these efforts with the goal of submitting >> a 2011 DOE INCITE proposal. The ultimate target of the BG/P >> simulation effort is runs requiring PPM+N-body simulations with a 1 Gpc (1 pc >> = 3.09x10^16 m) box size, 2048^3 grid cells, and 10^11 dark matter particles. >> We anticipate employing fusion to generate initial conditions for a suite of >> a few dozen BG/P simulations. Generating such initial conditions is memory >> intensive and cannot currently be done on the BG/P. These requirements also >> push the limits of existing codes. Scaling the cosmology runs to the target >> level represents a marked increase relative to machines used to date. >> Verifying scaling results, on a traditional Linux cluster such as fusion, >> will constitute an important part of our BG/P studies. We are highly >> confident of fusion's suitability for the proposed simulations because such >> runs have been shown to scale to upwards of 4K CPUs on other Linux clusters. >> >> The scaling studies will require approximately 10 runs each for strong and >> weak scaling for a total of ~20 runs. Based on Prof. Ricker's experience with >> PPM+N-body simulations performed at Oak Ridge National Laboratory, we >> estimate that a run with 2048^3 grid cells will cost approximately 400 >> CPU-hrs per timestep and require ~30 time steps for a total of 12K CPU-hrs. >> Assuming reasonable scaling, this implies a total cost of approximately 240K >> CPU-hrs for the scaling study. Generating initial conditions will require a >> significantly smaller cost by comparison. Thus, an allocation of 275K CPU-hrs >> will enable significant research progress. >> Project URL: >> Requested allocation: 275000 >> Justification: >> >> >> The requester has used 0 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)lists.lcrc.anl.gov >> https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins > _______________________________________________ > allocations-admins mailing list > allocations-admins(a)lists.lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins ----------------------------------------- Ray Bair Computing, Environment, and Life Sciences Argonne National Laboratory and the University of Chicago Building 240, Room 4126 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 Request: Cosmology
by John Valdes 12 Apr '10

12 Apr '10

Any decision on this project? The request came in the day after the allocation meeting. If we approve, we need to decide: Amount: Contact: Cat/Subcat: Priority: The request sounds good to me; I would say 150K, either Ray or Steve Pieper as POC, P:Phy, and 3. John On Fri, Apr 02, 2010 at 04:09:21PM -0500, 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: Joe Bernstein > Applicant's institution: ANL > Applicant's division: HEP > Project Name: Cosmology > Project title: Harnessing Computational Cosmology Simulations to Investigate Cosmic Evolution > Associated funding: None external to ANL sources > Other Systems: ANL Blue Gene/P (renewal in preparation for ~300000 CPU-hrs over 4 months) > Science: The evidence for dark energy represents one of the greatest mysteries of modern science. The proposed research will probe the implications of > dark energy via analysis of computational cosmology simulations. Several independent observational methods provide evidence pointing to the conclusion that 95% of the current energy density of the Universe exists as part of the "dark sector" that is different from normal, i.e., > "baryonic," matter. In particular, the dark sector is thought to be comprised of 22% "dark matter," which interacts with baryonic matter > ostensibly only through gravity, and 73% "dark energy," which experiences gravity as a repulsive force. The nature of both dark sector components are essentially complete unknowns. It is presently an exciting time to be involved in cosmology because planned astronomical surveys will effectively result in dark sector probes becoming systematics-limited, making numerical simulations crucial to placing precision constraints on the dark sector. In addition, particle physics theorists predict that the Large Hadron Collider (LHC) and direct dark matter experiments may soon discover a dark matter candidate particle. ANL HEP staff and collaborating U. Illinois faculty are members of the Dark Energy Survey, which will provide the next generation of dark energy and (indirect) dark matter data. Local scientific simulation > expertise and high-performance computing further make ANL ideally-suited to pursue answers to questions about the dark sector. The focus of the > proposed research is the production and interpretation of computational cosmology simulations in order to elucidate the nature of the dark sector. > Project description: The "Cosmology" project on fusion.lcrc.anl.gov (hereafter, "fusion") is in support of the one of the main research efforts of the PI as an ANL Computational Postdoctoral Fellow. The number of project members will be 3-5. We will make use of the requested number of CPU-hrs (275K) in efforts to generate initial conditions and verify scaling results for cosmology simulations run on the ANL Blue Gene/P ("BG/P"). Toward this end, we will harness piecewise-parabolic method (PPM) hydrodynamics and N-body gravity solvers, MPI for inter-processor communication, and HDF5 to implement parallel I/O. We will utilize both the C and FORTRAN90 programming languages. > > Paul Ricker (U. Illinois) is a computational cosmology expert working with Boyana Norris (MCS) on BG/P cosmology studies. The PI of this proposal recently transitioned from a classification as an ANL Postdoctoral Appointee to an ANL Computational Postdoctoral Fellow. His > new duties include collaborating on these efforts with the goal of submitting a 2011 DOE INCITE proposal. The ultimate target of the BG/P > simulation effort is runs requiring PPM+N-body simulations with a 1 Gpc (1 pc = 3.09x10^16 m) box size, 2048^3 grid cells, and 10^11 dark matter particles. We anticipate employing fusion to generate initial conditions for a suite of a few dozen BG/P simulations. Generating such initial conditions is memory intensive and cannot currently be done on the BG/P. These requirements also push the limits of existing codes. Scaling the cosmology runs to the target level represents a marked increase relative to machines used to date. Verifying scaling results, on a traditional Linux cluster such as fusion, will constitute an important part of our BG/P studies. We are highly confident of fusion's suitability for the proposed simulations because such runs have been shown to scale to upwards of 4K CPUs on other Linux clusters. > > The scaling studies will require approximately 10 runs each for strong and weak scaling for a total of ~20 runs. Based on Prof. Ricker's experience with PPM+N-body simulations performed at Oak Ridge National Laboratory, we estimate that a run with 2048^3 grid cells will cost approximately 400 CPU-hrs per timestep and require ~30 time steps for a total of 12K CPU-hrs. Assuming reasonable scaling, this implies a total cost of approximately 240K CPU-hrs for the scaling study. Generating initial conditions will require a significantly smaller cost by comparison. Thus, an allocation of 275K CPU-hrs will enable significant research progress. > Project URL: > Requested allocation: 275000 > Justification: > > > The requester has used 0 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)lists.lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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[LCRC Accounts] Project Request: Cosmology
by accounts＠lcrc.anl.gov 02 Apr '10

02 Apr '10

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: Joe Bernstein Applicant's institution: ANL Applicant's division: HEP Project Name: Cosmology Project title: Harnessing Computational Cosmology Simulations to Investigate Cosmic Evolution Associated funding: None external to ANL sources Other Systems: ANL Blue Gene/P (renewal in preparation for ~300000 CPU-hrs over 4 months) Science: The evidence for dark energy represents one of the greatest mysteries of modern science. The proposed research will probe the implications of dark energy via analysis of computational cosmology simulations. Several independent observational methods provide evidence pointing to the conclusion that 95% of the current energy density of the Universe exists as part of the "dark sector" that is different from normal, i.e., "baryonic," matter. In particular, the dark sector is thought to be comprised of 22% "dark matter," which interacts with baryonic matter ostensibly only through gravity, and 73% "dark energy," which experiences gravity as a repulsive force. The nature of both dark sector components are essentially complete unknowns. It is presently an exciting time to be involved in cosmology because planned astronomical surveys will effectively result in dark sector probes becoming systematics-limited, making numerical simulations crucial to placing precision constraints on the dark sector. In addition, particle physics theorists predict that the Large Hadron Collider (LHC) and direct dark matter experiments may soon discover a dark matter candidate particle. ANL HEP staff and collaborating U. Illinois faculty are members of the Dark Energy Survey, which will provide the next generation of dark energy and (indirect) dark matter data. Local scientific simulation expertise and high-performance computing further make ANL ideally-suited to pursue answers to questions about the dark sector. The focus of the proposed research is the production and interpretation of computational cosmology simulations in order to elucidate the nature of the dark sector. Project description: The "Cosmology" project on fusion.lcrc.anl.gov (hereafter, "fusion") is in support of the one of the main research efforts of the PI as an ANL Computational Postdoctoral Fellow. The number of project members will be 3-5. We will make use of the requested number of CPU-hrs (275K) in efforts to generate initial conditions and verify scaling results for cosmology simulations run on the ANL Blue Gene/P ("BG/P"). Toward this end, we will harness piecewise-parabolic method (PPM) hydrodynamics and N-body gravity solvers, MPI for inter-processor communication, and HDF5 to implement parallel I/O. We will utilize both the C and FORTRAN90 programming languages. Paul Ricker (U. Illinois) is a computational cosmology expert working with Boyana Norris (MCS) on BG/P cosmology studies. The PI of this proposal recently transitioned from a classification as an ANL Postdoctoral Appointee to an ANL Computational Postdoctoral Fellow. His new duties include collaborating on these efforts with the goal of submitting a 2011 DOE INCITE proposal. The ultimate target of the BG/P simulation effort is runs requiring PPM+N-body simulations with a 1 Gpc (1 pc = 3.09x10^16 m) box size, 2048^3 grid cells, and 10^11 dark matter particles. We anticipate employing fusion to generate initial conditions for a suite of a few dozen BG/P simulations. Generating such initial conditions is memory intensive and cannot currently be done on the BG/P. These requirements also push the limits of existing codes. Scaling the cosmology runs to the target level represents a marked increase relative to machines used to date. Verifying scaling results, on a traditional Linux cluster such as fusion, will constitute an important part of our BG/P studies. We are highly confident of fusion's suitability for the proposed simulations because such runs have been shown to scale to upwards of 4K CPUs on other Linux clusters. The scaling studies will require approximately 10 runs each for strong and weak scaling for a total of ~20 runs. Based on Prof. Ricker's experience with PPM+N-body simulations performed at Oak Ridge National Laboratory, we estimate that a run with 2048^3 grid cells will cost approximately 400 CPU-hrs per timestep and require ~30 time steps for a total of 12K CPU-hrs. Assuming reasonable scaling, this implies a total cost of approximately 240K CPU-hrs for the scaling study. Generating initial conditions will require a significantly smaller cost by comparison. Thus, an allocation of 275K CPU-hrs will enable significant research progress. Project URL: Requested allocation: 275000 Justification: The requester has used 0 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 Request: CEES-Si
by accounts＠lcrc.anl.gov 31 Mar '10

31 Mar '10

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: Maria Chan Applicant's institution: ANL Applicant's division: CNM Project Name: CEES-Si Project title: Investigations of silicon surfaces and interfaces for lithium ion batteries Associated funding: DOE Energy Frontier Research Center -- Center for Electrical Energy Storage (CEES) Other Systems: CNM Carbon Science: This project uses density functional theory (DFT) to investigate silicon as an anode material for lithium ion batteries. Silicon is attractive as an alternative to carbon-based anode materials due to enhanced safety and superior capacity. A key question that arises in the design and operation of Si-based anodes concerns the ability of these anodes to ad(b)sorb lithium ions; numerous studies suggest that the Si lithiation process involves a rich combination of adsorption and absorption phenomena, together with surface reconstructions, highly localized volumetric expansions of the Si lattice, and phase transitions between crystalline and amorphous structures. At the atomic and nanoscales, however, even the simplest details of these processes remain poorly understood. We aim to providing atomistic insights on these processes by carrying out DFT studies of the adsorption, initial stages of insertion, and diffusion of Li in the surfaces, interfaces betwee n phases, and nanowires. This will aid the design of optimal surface and interfacial structures for battery performance and stability. Project description: We will use total energy calculations with DFT to obtain the adsorption energies of Li on different sites on the surface and subsurface layers. In addition, the nudged elastic band method and ab initio molecular dynamics will be used to compute diffusion barriers and constants. The calculations will involve a large ensemble of total energies corresponding to various silicon surface terminations and lithiation states. For bulk crystalline silicon, we consider common surfaces, Si(100)-1x1, Si(100)-2x1, and unreconstructed Si(111). In addition, surfaces of amorphous silicon and interface between crystalline and amorphous silicon, as well as silicon nanowires, will be considered. Using the projector-augmented wave method, only valence electrons will be included which reduces computational costs. We will use well-established DFT codes VASP and GPAW, which use a plane wave basis set and real space grids respectively. Project URL: http://www.anl.gov/energy-storage-science/ Requested allocation: 250000 Justification: The requester has used 0 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] [LCRC Accounts] Project Allocation Request
by John Valdes 30 Mar '10

30 Mar '10

I haven't heard back from Folker today regarding his requests, so I just submitted a request for 55K for MG-RAST on his behalf. I'll grant this request since Ray's already approved it. John On Tue, Mar 30, 2010 at 07:09:51PM -0500, accounts(a)lcrc.anl.gov wrote: > Hello, > > A change in allocation has been requested: > > Requester: folker (Folker Meyer) > Project: MG-RAST > Title: Analysis of metagenomes using MG-RAST > Description: Goal is to provide initial analysis for the two large data sets that represent the current state of the art in soil metagenome analysis. Both projects are well aligned with Argonne's strategic plan the BESI metagenomics initiative goals. > Current: undetermined amount > Justification: > > Requested: 55000 > > A specific reason has been given: > MG-RAST is in the red, and we need about another 5000 hours per day this week. > > 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)lists.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 30 Mar '10

30 Mar '10

Hello, A change in allocation has been requested: Requester: folker (Folker Meyer) Project: MG-RAST Title: Analysis of metagenomes using MG-RAST Description: Goal is to provide initial analysis for the two large data sets that represent the current state of the art in soil metagenome analysis. Both projects are well aligned with Argonne's strategic plan the BESI metagenomics initiative goals. Current: undetermined amount Justification: Requested: 55000 A specific reason has been given: MG-RAST is in the red, and we need about another 5000 hours per day this week. 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 27 Mar '10

27 Mar '10

Hello, A change in allocation has been requested: Requester: emconsta (Emil M Constantinescu) Project: uncertainty-climate Title: Uncertainty in weather forecasting Description: The aim is to create very accurate uncertainty estimates of the weather forecasts to be used for optimal management of energy systems such as wind- and solar-power generation or building management. The purpose of using Fusion is to execute several scenarios and obtain forecast and uncertainty information about ambient variables by running weather/climate simulation codes (such as WRF). This information is used in a stochastic optimization control loop that provides an optimal operational point for energy systems. For the practical part of the project, we will develop a framework (C or FORTRAN, MPI, XML, Python) to run WRF in a realistic fashion and illustrate theoretical findings. We consider running several WRF instances (each on one node) at the same time. Partial results are collected on a separate node and processed before they are sent back to each specific instance. The instances will continue to run and produce new results. In terms of parallelism, this application framework is embarrassingly parallel since each instance run independently. In FY10, we need to run additional uncertainty quantification experiments with higher resolution and more samples in order to achieve a better level of accuracy. The improved weather forecast accuracy simulations allow us to find a more robust operational point for the operation of energy systems (wind power for electricity generation and building heating and cooling). Current: undetermined amount Justification: Requested: 200000 A specific reason has been given: After a careful scalability and resource metering, we have discovered that additional CPU hours are needed to carry out part of our LDRD-funded project. We need to simulate weather at a resolution of 1x1 km. in order to make an impact in this project. Fusion allows us to make accurate predictions and uncertainty estimates of wind speed, solar irradiates and other atmospheric states, which are relevant for a robust management of energy systems. We therefore need extra CPU hours to provide the DOE scientists with the appropriate fine resolution data in order for them to carry out their projects. 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 Request: gsavalid
by accounts＠lcrc.anl.gov 26 Mar '10

26 Mar '10

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: Michael Davis Applicant's institution: ANL Applicant's division: cse Project Name: gsavalid Project title: Theoretical validation of chemical kinetic mechanisms using global sensitivity analysis Associated funding: DOE-BES, Integrated Biofuel Strategic LDRD Other Systems: Mac workstations Science: Validation of chemical-kinetic mechanisms using global sensitivity analysis. Project description: Global sensitivity is used to study the importance of competing chemical reactions in a chemical-kinetic mechanism. Such analysis requires the repeated integration of large systems of differential equations over a large number of initial physical parameters, sampled via Monte-Carlo techniques. These calculations are very time-consuming for the mechanisms of biofuels. For example, the ignition of butanol, which is a well-studied biofuel, is described by over 250 differential equations involving 1440 reactions, and requires times on the order of several processor-days to obtain adequate convergence for a single set of initial physical parameters such as pressure and temperature. The Monte-Carlo calculations as well as the sampling of the physical considitions can be distributed over multiple processors in a very efficient manner. We have run the code previously in a very efficient manner on 20 and 40 processors on a linux cluster at the Universit y of Colorado, with linear speed-up. This project is a joint collaborations among CSE, the University of Colorado, Boulder, and Leeds University and includes approximately 5 total collaborators. At the present time we are using are own software. Project URL: Requested allocation: 200000 Justification: The requester has used 0 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 Request: MG-RAST_NEC
by accounts＠lcrc.anl.gov 25 Mar '10

25 Mar '10

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: Folker Meyer Applicant's institution: ANL Applicant's division: IGSB Project Name: MG-RAST_NEC Project title: Analysis of NEC metagenomes. Associated funding: NIH Other Systems: Science: Annotation of metagenomic data from a large scale study of NEC twins. (NEC= necrotizing entero colitis) a medical condition primarily seen in premature infants. Understanding the role of microbiota through metagenomics will provide key insights to understanding the disease. Project description: Running sequence similarity searches using a variety of algorithms including BLAST, BLAT, uclust, vmatch against a large non-redundant sequence database. Project URL: Requested allocation: 580,000 Justification: "During the last allocation we have scaled up from running single node jobs to jobs of an arbitrary size. Additionally we worked to efficiently utilize backfill time slots due to the flexible run time of our code. Over the next allocation we plan to experiment with new more efficient algorithms that will make use of the large memory nodes." The requester has used 0 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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