scidac software jlab ahm may 6, 2011 - usqcd

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SciDAC Software JLab AHM May 6, 2011 New Machines: BG/Q & CPS (Mawhinney) Blue Waters (Gottlieb) GPU & Chroma (Joo) Strong Scaling GPU (QUDA group) New Software/Algorithms QDPOP Multi-grid (Osborn) QULA (Pochinsky) QUDA slides (Babich at Software Workshop) Possible Topics for Discussion Friday, May 6, 2011

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Page 1: SciDAC Software JLab AHM May 6, 2011 - USQCD

SciDAC Software JLab AHM May 6, 2011

New Machines: BG/Q & CPS (Mawhinney)Blue Waters (Gottlieb)GPU & Chroma (Joo)Strong Scaling GPU (QUDA group)

New Software/Algorithms QDPOP Multi-grid (Osborn)QULA (Pochinsky)QUDA slides (Babich at Software Workshop)

Possible Topics for Discussion

Friday, May 6, 2011

Page 2: SciDAC Software JLab AHM May 6, 2011 - USQCD

Mawhinney

Friday, May 6, 2011

Page 3: SciDAC Software JLab AHM May 6, 2011 - USQCD
Page 4: SciDAC Software JLab AHM May 6, 2011 - USQCD
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Mobius/DWF Preconditioning On 323 × 64× 32 Lattice

March 16, 2011

Testing was done on BG/P, 512 node machine. Solves to 1e-10.

1 Mobius Ls = 12

DWF Ls = 32, Mobius Ls = 12. Mobius parameters are as follows:

b5 = 1.841556, c5 = 0.841556 (1)

The procedure for Mobius guided solve is as follows

1. solves on DWF to 1e-2

2. solves on Mobius to 2e-5 (repeated 3 times, all on residue)

3. solves on DWF to 1e-10

The red solves in the following table are done on Ls = 12 Mobius lattice. All the rest aredone on the original Ls = 32 DWF lattice.

CG From zero init guess CG via Mobius

16121 4447 106101 4581 106102 4775 106

51711290

equivalent:63512.68e3 seconds 1.14e3 seconds

1

Page 6: SciDAC Software JLab AHM May 6, 2011 - USQCD

Gottlieb

Friday, May 6, 2011

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Blue Waters

• USQCD has a PRAC grant from NSF to support travel to NCSA and interaction with NCSA staff in preparation for Blue Waters, NSF’s sustained petascale computer

• Public schedule: early science in late 2011, full service mid-2012

Page 8: SciDAC Software JLab AHM May 6, 2011 - USQCD

• Greg Bauer is our primary point of contact and has been a source of great help.

• He has access to prototype hardware and has been running both Chroma and MILC codes.

• Some of us have access to Blue Drop (Power 7 system at NCSA).

• Performance information is still NDA, but we can list some of the activities.

Page 9: SciDAC Software JLab AHM May 6, 2011 - USQCD

• Code has compiled and been run.

• Variation on performance depending on local volume

• data padding needed?

• NUMA issues are a concern

• VSX/VMX routines (see MILC) should be easy to integrate.

Chroma

Page 10: SciDAC Software JLab AHM May 6, 2011 - USQCD

CPS

• Peter Boyle has NDA access through Edinburgh.

• He plans to port BAGEL to Power 7.

Page 11: SciDAC Software JLab AHM May 6, 2011 - USQCD

MILC• SG spent 2009-10 sabbatical at NCSA.

• VSX/VMX routines written by Brad Elkins (IBM) tested by Greg Bauer.

• SMT tested. SMT=2 provides most of the gain. (SMT=4 is maximum.)

• Derived datatypes reduce copying of data to and from MPI buffers.

• EuroMPI paper by Hoefler and Gottlieb

• Now tested on BW prototype

Page 12: SciDAC Software JLab AHM May 6, 2011 - USQCD

• MILC code (su3_rmd) has been run on up to 256 cores of prototype hardware by Greg Bauer.

• various options tested

• Performance model by Gottlieb and Hoefler

• model is public; BW parameters are not

• Independent model by Hoisie et al.

• It’s late and have not seen a write-up.

Page 13: SciDAC Software JLab AHM May 6, 2011 - USQCD

• With so many cores/node, a hybrid OpenMP and MPI program may get better performance.

• This is expected for BlueGene/Q

• Doug Toussaint has been trying this approach on Hopper (NERSC Cray XE6)

• Greg Bauer is trying this on BW prototype.

Page 14: SciDAC Software JLab AHM May 6, 2011 - USQCD

Joo

Friday, May 6, 2011

Page 15: SciDAC Software JLab AHM May 6, 2011 - USQCD

Status: Chroma+QUDA •  Chroma wraps the QUDA Clover solvers

–  QUDA Propagator, two flavor & shifted solvers •  Chroma HMC trajectories possible with solver work on GPU •  Multi-Dimensional parallelization of QUDA has now happened

–  Wilson/Clover/AsqTAD (so far) -- (clover only in Chroma) –  PCIe still choke point

•  Additive Schwarz Domain Decomposed Solver helped Clover inverter (usefully) scale to 256 GPUs

–  Some cleanup needed in some of the wrappers • Multi-Dim work changed QUDA interfaces...

–  Lots of work out there to do (volunteers?)

Page 16: SciDAC Software JLab AHM May 6, 2011 - USQCD

Current & Future Efforts at JLab •  ‘General Computing’ R&D

–  Porting/Optimization for Emerging Systems •  BlueWaters, BG/Q

–  Direct QDP++ support for GPU/Heterogeneous systems –  A lot of work in the invisible plumbing (beneath Chroma)

•  e.g. Optimized Dslash-es, Clover Terms, solvers etc. –  Architectural Exploration Work

•  E.g. CUDA-4.0, PCIe networks, Intel Knights series, future NVIDA GPUs, Intel AVX etc.

–  Algorithmic Work •  Scalable Solvers (e.g. Domain Decomposed, Mixed

Precision, Multi-level etc)

Page 17: SciDAC Software JLab AHM May 6, 2011 - USQCD

Current & Future Efforts at JLab •  Analysis Methods R & D:

–  Improvements on Distillation •  Better Smearing Techniques • Hybrid Distillation/Stochastic (Noisy Methods) •  Very large Q2 form-factors •  Changes to our workflow: Will need infrastructure

support: tape libraries, parallel I/O, etc –  Software

• Három -- A 3D code for contractions •  Redstar -- Compute 2pt-3pt correlation functions

using the output of Három

Page 18: SciDAC Software JLab AHM May 6, 2011 - USQCD

GPU Strong Scaling(Babich, Clark, Joo, Shi, Brower &Gottlieb)

Friday, May 6, 2011

Page 19: SciDAC Software JLab AHM May 6, 2011 - USQCD

4 8 16 32 64 128 256Number of GPUs

1

2

4

8

16

32Tf

lops

BiCGstabGCR-DD

V = 323 × 256

Friday, May 6, 2011

Page 20: SciDAC Software JLab AHM May 6, 2011 - USQCD

8 16 32 64 128 256Number of GPUs

4

8

16

32

64Ti

me

to so

lutio

n (s

ec)

BiCGstabGCR-DD

V = 323 × 256

Friday, May 6, 2011

Page 21: SciDAC Software JLab AHM May 6, 2011 - USQCD

4K 8K 12K 16K 20K 24K 28K 32KNumber of cores

0

5

10

15

20Tf

lops

Sus

tain

ed in

Sol

ver

Intrepid BG/P BiCGStab DPJaguar XT4, Rel. IBiCGStab, Mixed Prec.Jaguar XT5, Rel. IBiCGStab, Mixed Prec.

Friday, May 6, 2011

Page 22: SciDAC Software JLab AHM May 6, 2011 - USQCD

Osborn

Friday, May 6, 2011

Page 23: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 1

Page 24: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 2

Page 25: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 3

Page 26: SciDAC Software JLab AHM May 6, 2011 - USQCD

Q* “C” libraries

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Page 27: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 5

Outline

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Page 28: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 6

QMP

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Page 29: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 7

QIO

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Page 30: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 8

QLA

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Page 31: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 9

QDP

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QDP_loop_sites(i, s, { QLA_ColorMatrix *mi = QDP_site_ptr_readwrite_M(m, i); QLA_DiracFermion *di = QDP_site_ptr_readonly_D(d, i); QLA_c_eq_r_times_c(QLA_elem_M(*mi,0,0), 2., QLA_elem_D(*di,1,2)); });

Page 32: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 10

QOPQDP

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Page 33: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 11

(Q)MG

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Page 34: SciDAC Software JLab AHM May 6, 2011 - USQCD

James C. Osborn - USQCD Software 2011 12

QLUA

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Page 35: SciDAC Software JLab AHM May 6, 2011 - USQCD

Pochinsky

Friday, May 6, 2011

Page 36: SciDAC Software JLab AHM May 6, 2011 - USQCD

QLUA: LQCD SCRIPTING

based on the Lua programming language

Integrated with QDP & QIO

seamless Level III extensions

platform-independent

in production use

Page 37: SciDAC Software JLab AHM May 6, 2011 - USQCD

QLUA FEATURES

Full programming language (variables, routines, &c)

automatic memory management (including QCD data)

Latent types

Available Level III packages

Möbius Domain Wall Fermions

Clover Wilson(including EigCG)

QDPOP

Page 38: SciDAC Software JLab AHM May 6, 2011 - USQCD

QLUA POINTERS

http://www.lua.org/

https://lattice.lns.mit.edu/trac/downloads

https://usqcd.lns.mit.edu/wiki/QLUA_tutorials

Page 39: SciDAC Software JLab AHM May 6, 2011 - USQCD

Babich

Friday, May 6, 2011

Page 40: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 41: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 42: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 43: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 44: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 45: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 46: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 47: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 48: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 49: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Page 50: SciDAC Software JLab AHM May 6, 2011 - USQCD

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Friday, May 6, 2011