OASIS: a data and software distribution service for Open Science Grid

The Open Science Grid encourages the concept of software portability: a user's scientific application should be able to run at as many sites as possible. It is necessary to provide a mechanism for OSG Virtual Organizations to install software at sites. Since its initial release, the OSG Compute Element has provided an application software installation directory to Virtual Organizations, where they can create their own sub-directory, install software into that sub-directory, and have the directory shared on the worker nodes at that site. The current model has shortcomings with regard to permissions, policies, versioning, and the lack of a unified, collective procedure or toolset for deploying software across all sites. Therefore, a new mechanism for data and software distribution is desirable. The architecture for the OSG Application Software Installation Service (OASIS) is a server-client model: the software and data are installed only once in a single place, and are automatically distributed to all client sites simultaneously. Central file distribution offers other advantages, including server-side authentication and authorization, activity records, quota management, data validation and inspection, and well-defined versioning and deletion policies. The architecture, as well as a complete analysis of the current implementation, are described in this paper.This material is based on work supported by the National Science Foundation under NSF grants 647F231 and 1148698

Galaxy based BLAST submission to distributed national high throughput computing resources

To assist the bioinformatic community in leveraging the national cyberinfrastructure, the National Center for Genomic Analysis Support (NCGAS) along with Indiana University's High Throughput Computing (HTC) group have engineered a method to use the Galaxy to submit BLAST jobs to the Open Science Grid (OSG). OSG is a collaboration of resource providers that utilize opportunistic cycles at more than 100 universities and research centers in the US. BLAST jobs make a significant portion of the research conducted on NCGAS resources, moving jobs that are conducive to an HTC environment to the national cyberinfrastructure would alleviate load on resources at NCGAS and provide a cost effective solution for getting more cycles to reduce the unmet needs of bioinformatic researchers. To this point researchers have tackled this issue by purchasing additional resources or enlisting collaborators doing the same type of research, while HTC experts have focused on expanding the number of resources available to historically HTC friendly science workflows. In this paper, we bring together expertise from both areas to address how a bioinformatics researcher using their normal interface, Galaxy, can seamlessly access the OSG which routinely supplies researchers with millions of compute hours daily. Efficient use of these results will supply additional compute time to researcher and help provide a yet unmet need for BLAST computing cycles.This material is based upon work supported by the National Science Foundation under Grant No. ABI-1062432, Craig Stewart, PI. William Barnett, Matthew Hahn, and Michael Lynch, co-PIs. This work was supported in part by the Lilly Endowment, Inc. and the Indiana University Pervasive Technology Institute. Any opinions presented here are those of the presenter(s) and do not necessarily represent the opinions of the National Science Foundation or any other funding agencie

Building a Chemical-Protein Interactome on the Open Science Grid

The Structural Protein-Ligand Interactome (SPLINTER) project predicts the interaction of thousands of small molecules with thousands of proteins. These interactions are predicted using the three-dimensional structure of the bound complex between each pair of protein and compound that is predicted by molecular docking. These docking runs consist of millions of individual short jobs each lasting only minutes. However, computing resources to execute these jobs (which cumulatively take tens of millions of CPU hours) are not readily or easily available in a cost effective manner. By looking to National Cyberinfrastructure resources, and specifically the Open Science Grid (OSG), we have been able to harness CPU power for researchers at the Indiana University School of Medicine to provide a quick and efficient solution to their unmet computing needs. Using the job submission infrastructure provided by the OSG, the docking data and simulation executable was sent to more than 100 universities and research centers worldwide. These opportunistic resources provided millions of CPU hours in a matter of days, greatly reducing time docking simulation time for the research group. The overall impact of this approach allows researchers to identify small molecule candidates for individual proteins, or new protein targets for existing FDA-approved drugs and biologically active compounds

A search for J^{PC}=1^{-+} exotic mesons in the pi- pi- pi+ and pi- pi0 pi0 systems

A partial wave analysis (PWA) of the pi-pi-pi+ and pi-pi0pi0 systems produced in the reaction pi- p -> (3pi)-p at 18 GeV/c was carried out using an isobar model assumption. This analysis is based on 3.0M pi-pi0pi0 events and 2.6M pi-pi-pi+ events and shows production of the a2(1320), pi2(1670) and \pi(1800) mesons. An earlier analysis of 250K pi-pi-pi+ events from the same experiment showed possible evidence for a J^{PC}=1^{-+}$ exotic meson with a mass of 1.6 GeV/c^2 decaying into rho pi. In this analysis of a higher statistics sample of the (3pi)- system in two charged modes we find no evidence of an exotic meson.Comment: 4 pages, 5 figures, added comment about the negative reflectivity exotic wave

A Study of the \eta \pi^{0} Spectrum and Search for a J^{PC} = 1^{-+} Exotic Meson

A partial wave analysis (PWA) of the of the $\eta \pi ^0$ system (where $\eta \to \gamma \gamma$) produced in the charge exchange reaction $\pi ^-p\to \eta \pi ^0n$ at an incident momentum of 18 GeV$/c$ is presented as a function of ${\eta \pi ^0}$ invariant mass, $m_{\eta\pi^0}$, and momentum transfer squared, $t_{\pi^{-}\to\eta\pi}$, from the incident $\pi^-$ to the outgoing ${\eta\pi ^0}$ system. $S$, $P$ and $D$ waves were included in the PWA. The $a_0(980)$ and $a_2(1320)$ states are clearly observed in the overall ${\eta\pi ^0}$ effective mass distribution as well as in the amplitudes associated with $S$ wave and $D$ waves respectively after partial wave decomposition. The observed distributions in moments (averages of spherical harmonics) were compared to the results from the PWA and the two are consistent. The distribution in $t_{\pi^{-}\to\eta\pi}$ for individual $D$ waves associated with natural and unnatural parity exchange in the $t$-channel are consistent with Regge phenomenology. Of particular interest in this study is the $P$ wave since this leads to an exotic $J^{PC}=1^{-+}$ for the $\eta \pi$ system. A $P$ wave is present in the data, however attempts to describe the mass dependence of the amplitude and phase motion with respect to the $D$ wave as a Breit-Wigner resonance are problematic. This has implications regarding the existence of a reported exotic $J^{PC} = 1^{-+}$ meson decaying into $\eta \pi^0$ with a mass near 1.4 GeV$/c^2$.Comment: 19 pages, 29 figures, to appear in Phys. Rev.

Observation of a New J(PC)=1(+-) Isoscalar State in the Reaction Pi- Proton -> Omega Eta Neutron at 18 GeV/c

Results are presented on a partial wave analysis of the Omega Eta final state produced in Pi- Proton interactions at 18 GeVc where Omega -> Pi+ Pi- Pi0, Pi0 -> 2 Gammas, and Eta -> 2 Gammas. We observe the previously unreported decay mode Omega(1650) -> Omega Eta and a new 1(+-) meson state h1(1595) with a mass M=1594(15)(+10)(-60) MeV/c^2 and a width Gamma=384(60)(+70)(-100) MeV/c^2. The h1(1595) state exhibits resonant-like phase motion relative to the Omega(1650).Comment: Submitted to Physics Letters B Eight total pages including 11 figures and 1 tabl

Partial-wave analysis of the eta pi+ pi- system produced in the reaction pi-p --> eta pi+ pi- n at 18 GeV/c

A partial-wave analysis of 9082 eta pi+ pi- n events produced in the reaction pi- p --> eta pi+ pi- n at 18.3 GeV/c has been carried out using data from experiment 852 at Brookhaven National Laboratory. The data are dominated by J^{PC} = 0^{-+} partial waves consistent with observation of the eta(1295) and the eta(1440). The mass and width of the eta(1295) were determined to be 1282 +- 5 MeV and 66 +- 13 Mev respectively while the eta(1440) was observed with a mass of 1404 +- 6 MeV and width of 80 +- 21 MeV. Other partial waves of importance include the 1++ and the 1+- waves. Results of the partial wave analysis are combined with results of other experiments to estimate f1(1285) branching fractions. These values are considerably different from current values determined without the aid of amplitude analyses.Comment: 22 pages, 8 figure

Search for Exotic Mesons in pi- P Interactions at 18 GeV/c

The recent search for non $q \bar{q}$ mesons in $\pi^{-}p$ interactions at Brookhaven National Laboratory is summarized. Many final states such as $\eta \pi$, $\eta' \pi^{-}$, $a_{0} \pi$, $f_{1} \pi$, $a_{2} \pi$, $b_{1} \pi$, which are favored decay modes of exotics, are under investigation.Comment: 9 pages, PostScript, Presented at the International School of Nuclear Physics, Erice, Sicily, Italy, September 199

A partial wave analysis of the π0π0\pi ^0\pi ^0 system produced in π−p\pi ^-p charge exchange collisions

A partial wave analysis of the of the $\pi ^0\pi ^0$ system produced in the charge exchange reaction: $\pi ^-p\to \pi ^0\pi ^0n$ at an incident momentum of $18.3 GeV/c$ is presented as a function of ${\pi ^0\pi ^0}$ invariant mass, $m_{\pi^0\pi^0}$, and momentum transfer squared, $| {t} |$, from the incident $\pi^-$ to the outgoing ${\pi ^0\pi ^0}$ system.Comment: 24 pages total,8 pages text, 14 figures, 1 table. Submitted to Phys Rev