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The Shape of Science on the OSG

campus & user support area of the open science grid

Rob Gardner • University of Chicago

Ken Herner • Fermilab

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OSG All Hands Meeting, University of Utah, March 19-22, 2018

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on behalf of OSG User Support

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CI Connect

ATLAS Midwest�Tier2 Center

Emelie

Mats

Suchandra

Dave

Ken

Bala

Team

http://support.opensciencegrid.org/

Benedikt

+ OSG software, facOps, Ops teams!!

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five years of increasing science diversity

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new OSG Connect users �(> 400 in 2017)

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Science opportunity in a shared ecosystem

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cms

atlas

others

sharing impacts?

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5

797M�core-hours

1099�active users

346�projects�(50 active/week)

53�virtual orgs

36�fields of science

6�Rucio instances

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FTS server

1.5 PB�user storage �(Ceph & dCache)

8.8 PB/y�delivered from StashCaches

9�hosted campus CEs

5 years of opportunistic

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& from OSG supported submit points

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Bio/Chem/HEP/Evo/Eng/Astro/Med...

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11 fields of science consumed more than 10M core-hrs

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This Week

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quick view from space

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Mathematics

Daniel J. Katz • California State University Northridge • Project: GRScorrelation

number theory, radars, security, GPS

Golay pairs

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Simulating Source Coding.

Data deluge - much of it mobile traffic
Optical data compression
Important for digital space and satellite �communication & wireless data transmission

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Electrical Engineering

David Mitchell, Ahmad Golmohammadi • New Mexico State University • Project:SourceCoding

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Electrical Engineering

David Mitchell, Ahmad Golmohammadi • New Mexico State University • Project:SourceCoding

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Simulating Bipedal Walking

Large # parameters
Avoiding local min
Design hip exoskeleton

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Biomechanical Engineering

Mohammadhossein Saadatzi • Colorado School of Mines • Project: CombinedPS

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Condensed Matter Theory

Daniel Ben-Zion • UC San Diego • Project: skyclusters

here is a reference for quantum criticality with emphasis on the connection to the strange metal: https://arxiv.org/pdf/1102.4628.pdf

here is a "standard" reference for the numerical technique we use (rather hefty document): https://arxiv.org/pdf/1008.3477.pdf

here is our paper: https://arxiv.org/abs/1711.02686

from UCSD
a tale of two strange metals -- but only one today
work w/ advisor at UCSD
condensed matter theory - torch bearer
attended OSG user training last year at UCSD
systems of fermions, pauli exclusion principle; possible electron states, choose ground state to minimize the energy of the system
fermi sea, fermi surface, occupied vs unoccupied states
pics of fermi surfaces
computing power law in frequency

wave function was useless due to exponential complexity

can write matrix product states; traverse

can solve system in a few hours; turn crappy plots into nice results

DMRG algorithm. two parameters, sweep; run each 50 times to account for randomness;

calculate average correlation functions; binding functions of mobile fermions into local singlets

entaglement entropy.

also mentioned superconductivity work of Gazit

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"Use OSG to turn crappy plots into nice results"

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Daniel Ben-Zion • UC San Diego • Project: skyclusters

Condensed Matter Theory

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Emergent gauge theories

Lattice gauge theories are used to describe a wide range of phenomena from quark confinement to quantum materials. At finite fermion density, gauge theories are notoriously hard to analyse due to the fermion sign problem. Here, we investigate the Ising gauge theory in 2 + 1 dimensions, a problem of great interest in condensed matter, and show that it is free of the sign problem at arbitrary fermion density. At generic filling, we find that gauge fluctuations mediate pairing, leading to a transition between a deconfined BCS state and a confined BEC. At half-filling, a π-flux phase is generated spontaneously with emergent Dirac fermions. The deconfined Dirac phase, with a vanishing Fermi surface volume, is a non-trivial example of violation of Luttinger’s theorem due to fractionalization. At strong coupling, we find a single continuous transition between the deconfined Dirac phase and the confined BEC, in contrast to the expected split transition.

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Condensed Matter Theory

Snir Gazit • UC Berkeley • Project: z2dqmc

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We are simulating quantum field theory and many particle systems using lattice field theory techniques. Although some of our work involves lattice QCD, much of it does not. It encompasses supersymmetric systems and phase transitions in nonrelativisting systems.

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Joel Geidt, James Flamino • Rensselaer Polytechnic Institute • Project: lftsim

Particle Theory

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HEP

simulations

Sergey Chekanov • Argonne National Laboratory • Project: FutureColliders

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Many dynamical aspects of the solar system are explained by the outer planets experiencing a period of orbital instability.

However, models of planet formation in the inner solar system systematically produce Mars analogues which are about ten times too large.

By timing this instability in conjunction with the formation of the inner planets, we find that Mars regularly forms at the right size.

210 million years of evolution for one of our systems. The bottom panel shows the current solar system. Simulation provides a good match to both the masses and orbits of the final planets.

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Matt Clement, Nathan Kalb • Oklahoma University • Project: nicesims

Astrophysics

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Standard binding free energies are frequently sought in drug design. According to implicit ligand theory, standard binding free energies can be determined from binding potential of mean force (PMF) calculations from different receptor structures. Binding PMFs are a special type of binding free energy in which the receptor is rigid. The purpose of this project is to develop methods for estimating binding PMFs

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David Minh, Bing Xie, Chen Li, Trung Nguyen • Illinois Tech • Project: AIGDock

Chemistry

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Ariella Gladstein • University of Arizona • Project: macsSwigmodels

Evolutionary Biology

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Ariella Gladstein • University of Arizona • Project: macsSwigmodels

Evolutionary Biology

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Different languages divide the visible light spectrum into words

There are clear universal patterns: why?

In fact, a simple, evolutionary model in tandem with a model of perceptual color space and color saliency, completely accounts for the observed universal patterns.

Use OSG to explore the parameter space of this model

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Evolutionary Sciences

Joshua Plotkin • University of Pennsylvania • Project: Colocat

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Models of Prebiotic Evolution

Funded by NASA to search for optimal conditions for forming lifelike states
Network of interacting molecules assumed to be polymers
Extending models to include spatial structure and temperature

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Ben Intoy • University of Minnesota • Project:PreBioEvo

Biology

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Models of Prebiotic Evolution

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Biology

Ben Intoy • University of Minnesota • Project:PreBioEvo

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Ben Intoy • University of Minnesota • Project:PreBioEvo

Biology

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Analysis of peptides bioactivity

Role of diet & microbes ==> composition of your gut microbiome

Impact on health

StashCache

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Jean-Jack Riethoven • University of Nebraska Lincoln • Project: UNLbcrf

Bioinformatics

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SIMULATION OF CROSS PHENOTYPIC �EFFECTS OF RARE VARIANTS ACROSS TIME

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PRATYAYDIPTA RUDRA • University of Colorado Denver •

Statistical Genomics

phenotype

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PRATYAYDIPTA RUDRA • University of Colorado Denver •

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Data Science

Rami Vanguri • Columbia University • Project: nsides

biomedical informatics

hmm ran into a bit of a problem feeding data to GPUs on OSG, wound up using CPUs

nsides.io uses Agave to submit jobs to OSG (using SGCI)

Middlweare - request drug ineractions not already in the database

Each drug is an individual job

side effects

medical imaging - becoming very popular, ML

deep learning with GPU setups, at the institution, no mention of OSG

not just clinical classification; post processing, reconstruction, tumor detection, predict disease outcomes, much interest!

large diversity in computing abilities - all want to run themselves, for very different purposes

GANs; huge increase in the amount of data required; all needed to run on GPUs, intractable in CPU

138M parameters, VGG-16

use cases

Segmentation, U-Net

Clinical - NN to clinical significant tumors of MRI protstate findings

Science - elucidate biomarkers; early MRI-based Alzheimers; shallow learning so easy; risk for AZ

Engineering - deep atifact learning for compressed sensing and parallel MRI

COMPUTING W/ MEDICAL IMAGING

nobody new about OSG, or any other public computing resource

need to be careful about defining the model

--: network pre-training; data augmentation, one image and flip it around;

can start with image net, cat & spiders to decent classification w/ medical image

ResNet

challenges with OSG

HIPPA

pre-training datasets are quite large (how large?)

jobs can be too long not easily segmented (not easily parallelized)

accessibility to clinical researchers

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Rami Vanguri • Columbia University • Project: nsides

Data Science

Disease Categories

Highes heritability

Lowest heritability

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A FreeSurfer Workflow Service

Widely used software suite for analysis of human brain MRI scans.
Neurophysiology of depression, examining possible anatomical differences involved in ADHD, and studying autism
FSurf is an OSG hosted workflow execution service

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Neuroimaging

Suchandra Thapa • University of Chicago • Project:fsurf

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An FSurf "community" producing�"how-to" content

Neuroimaging

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18 FSurf users

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VOs

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working in all corners of the globe..

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South Pole Telescope:

Microwave-millimeter telescope

VERITAS:

4 12m Cerenkov telescopes for

gamma ray astronomy: Arizona, USA

XENON1T:

Dark matter detector at Gran Sasso National Laboratory, Italy

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Xenon1T bursting on OSG/EGI/XSEDE

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Exciting times in neutrino, muon, dark matter physics

NOvA: ν_eappearance; rejecting inverted neutrino mass hierarchy close to 2 sigma

g-2 experiment at FNAL now taking data

Darkside-50: new low- and high-mass dark matter search results, 2-phase LAr TPC

XENON 1T: best limits on spin-independent WIMP-nucleon cross section

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LHC Highlights

Further refining the picture of the Higgs Boson (VH->Vbb, ttH evidence)

Continuing to exclude exotic particles

Dark matter searches

Cross-section measurements

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Multi-messenger astronomy

LIGO: 2 binary black hole evts. since last AHM, 1 binary neutron star event with optical counterpart! A treasure trove of data that gives us

An independent measurement of the Hubble Constant
Important information about the origin of r-process elements in the universe (aside: more gold created than mass of earth)
Tests of the weak equivalence principle: (v_GW/v_γ) - 1 < 10^-15

See talk by MSS Tuesday

LVC et al. 2017

Image credit: Jennifer Johnson, Ohio State

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Diverse Science is happening on OSG!

Condensed Matter Theory

Deep Learning on Clinical Data

Mathematics - Number Theory

Electrical Engineering

Brain Imaging

Evolutionary Biology

Bioinformatics

Frontier Physics (( Cosmic Microwave Background

Dark Matter Searches, Intensity Frontier, Future Colliders ))

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Anectodal

"Thank you very, very much for making OSG such a tremendous and usable resource"

Thanks to collaborators, and especially to OSG for doing a great service to the scientific community -- wouldn't have been possible"

"My student told me about the OSG, where I can get free supercomputer power to get to 52"

"Awesome Support"

"Amazing resource, but noone in my field knows about it"

"Found out about OSG by ...." OSG User School, RMACC user tutorial, UCSD AHM user tutorial

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User Support

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OSG User Training Session Tomorrow!

Training

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Thank you!

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user-support@opensciencegrid.org

support.opensciencegrid.org

www.opensciencegrid.org/links

opensciencegrid