high performance computing - tu wien

©Jesper Larsson TräffWS20

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High Performance ComputingIntroduction, overview

High Performance ComputingIntroduction, overview

Jesper Larsson Träfftraff@par. …

Institute of Computer Engineering, Parallel Computing, 191-4Favoritenstrasse 16, 3. Stock


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High Performance Computing: A (biased) overview

Concerns: Either

1. Achieving highest possible performance as needed by some application(s)

2. Getting highest possible performance out of given (highly parallel) system

• Ad 1: Anything goes, including designing and building new systems, raw application performance matters

• Ad 2: Understanding and exploiting details at all levels of given system


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• Understanding modern processors: Processor architecture, memory system, single-core performance, multi-core parallelism

• Understanding parallel computers: Communication networks

• Programming parallel systems efficiently and effectively: Algorithms, interfaces, tools, tricks

All issues at all levels are relevant

…but not always to the same extent and at the same time

Ad. 2

Our themes for this lecture


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Traditional “Scientific Computing”/HPC applications

• Weather• Long-term weather forecast• Climate (simulations: coupled models, multi-scale, multi-

physics)• Earth Science

• Nuclear physics• Computational chemistry, Computational astronomy,

Computational fluid dynamics, …

• Protein folding, Molecular Dynamics (MD)

• Cryptography (code-breaking, NSA)• Weapons (design, nuclear stock pile), defense (“National

Security”), spying (NSA), …

Qualified estimates say these problems require TeraFLOPS, PetaFLOPS, ExaFLOPS, …


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Other, newer High-Performance Computing applications

• Machine Learning (ML), Deep Neural Networks (DNN) or other

• Data analytics (Google, Amazon, FB, …), “big data”

• Irregular data (graphs), irregular access patterns (graph algorithms)

Applications have different characteristics (operations, loops, tasks, access patterns, locality) and requirements (computation, memory, communication).Different HPC architecture trade-offs for different applications


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Ad. 1: Special purpose HPC systems for Molecular Dynamics

Special purpose computers have a history in HPC (computer science in general)

“Colossus” replica, Tony Sale 2006: Enigma code breaking

Thomas Haigh: Colossal genius: Tutte, Flowers, and a bad imitation of Turing. Commun. ACM 60(1): 29-35 (2017)Henry Shipley: Turing: Colossus computer revisited. Nat. 483(7389): 275 (2012)


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N-body computations of forces between molecules to determine movements: Special type of computation with specialized algorithms that could potentially be executed orders of magnitude more efficiently (time, energy) on special-purpose hardware

Example: N-body problem

M. Snir: “A Note on N-Body Computations with Cutoffs”. Theory Comp. Syst. 37(2): 295-318,2004


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MDGRAPE-3: PetaFLOPS performance in 2006, more than 3 times faster than BlueGene/L (Top500 #1 at that time)

MDGRAPE-4: Last in the series of a Japanese project of MD supercomputers (RIKEN)


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MDGRAPE-4: Last in the series of a Japanese project of MD supercomputers (RIKEN)

Ohmura I, Morimoto G, Ohno Y, Hasegawa A, Taiji M. MDGRAPE-4: A special-purpose computer system for molecular dynamics simulations. Phil. Trans. R. Soc. A 372: 20130387, 2014. http://dx.doi.org/10.1098/rsta.2013.0387

http://dx.doi.org/10.1098/rsta.2013.0387


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Anton (van Leeuwenhoek): Another special purpose MD system

512-node (8x8x8 torus) Anton machine

D. E. Shaw Research (DESRES)

Special purpose Anton chip (ASIC)


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From “Encyclopedia on Parallel Computing”, Springer 2011:

“Prior to Anton’s completion, few reported all-atom protein simulations had reached 2μs, the longest being a 10-μs simulation that took over 3 months on the NCSA Abe supercomputer […]. On June 1, 2009, Anton completed the first millisecond-long simulation – more than 100 times longer than any reported previously.”


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J. P. Grossman, Brian Towles, Brian Greskamp, David E. Shaw: Filtering, Reductions and Synchronization in the Anton 2 Network. IPDPS 2015: 860-870Brian Towles, J. P. Grossman, Brian Greskamp, David E. Shaw: Unifying on-chip and inter-node switching within the Anton 2 network. ISCA 2014: 1-12

David E. Shaw, Martin M. Deneroff, Ron O. Dror, Jeffrey Kuskin, Richard H. Larson, John K. Salmon, Cliff Young, Brannon Batson, Kevin J. Bowers, Jack C. Chao, Michael P. Eastwood, Joseph Gagliardo, J. P. Grossman, Richard C. Ho, Doug Ierardi, IstvánKolossváry, John L. Klepeis, Timothy Layman, Christine McLeavey, Mark A. Moraes, Rolf Mueller, Edward C. Priest, Yibing Shan, Jochen Spengler, Michael Theobald, Brian Towles, Stanley C. Wang: Anton, a special-purpose machine for molecular dynamics simulation. Commun. ACM 51(7): 91-97 (2008)

Ron O. Dror, Cliff Young, David E. Shaw: Anton, A Special-Purpose Molecular Simulation Machine. Encyclopedia of Parallel Computing 2011: 60-71


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Recent Anton 2 installation:

Pittsburg Supercomputing Center (PSC), see• https://www.psc.edu/resources/computing/anton• https://www.psc.edu/news-publications/2181-anton-2-will-

increase-speed-size-of-molecular-simulations

https://www.psc.edu/resources/computing/anton

https://www.psc.edu/news-publications/2181-anton-2-will-increase-speed-size-of-molecular-simulations


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Ad. 1: Special purpose HPC for Deep Neural Network processing

Google TensorFlow processors (TPU) for DNN• TPUv1: inference (2018): claims 15-30 times faster, 30-80

times more energy efficient that CPU/GPU

• TPUv2, v3: training (2020), 10 times performance/watt gains over Top500 supercomputers

Norman P. Jouppi, Doe Hyun Yoon, George Kurian, Sheng Li, Nishant Patil, James Laudon, Cliff Young, David A. Patterson:A domain-specific supercomputer for training deep neural networks. Commun. ACM 63(7): 67-78 (2020)

Norman P. Jouppi, Cliff Young, Nishant Patil, David A. Patterson: A domain-specific architecture for deep neural networks. Commun. ACM 61(9): 50-59 (2018)Norman P. Jouppi, Cliff Young, Nishant Patil, David A. Patterson: Motivation for and Evaluation of the First Tensor Processing Unit. IEEE Micro 38(3): 10-19 (2018)


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TPUv1

Systolic array MM processor


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Integrated interconnect

TPUv2/v3


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2-dimensional torus of TPUs

From (October 2020)https://www.servethehome.com/google-tpuv3-discussed-at-hot-chips-32/

https://www.servethehome.com/google-tpuv3-discussed-at-hot-chips-32/


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Special purpose architectures

• Dedicated functional units for special types of operations (FMA, MV, MM, …)

• Special ISA (special compiler support), often VLIW• Special (short?) data formats• Aggressive, special memory system

Special purpose/general purpose (Turing complete): Matter of degree• Standardized ISA• Balanced memory system, balanced communication system• General data formats• …

John L. Hennessy, David A. Patterson: A new golden age for computer architecture. Commun. ACM 62(2): 48-60 (2019)

Turing Award lecture 2018


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Ad 1.: Special purpose to general purpose

Special purpose sometimes have wider applicability

Special purpose advantages:• Higher performance (FLOPS) for special types of

computations/applications• More efficient (energy, number of transistors, …)

• Graphics processing processors (GPU) for general purpose computing (GPGPU)

• Field Programmable Gate Arrays (FPGA)

HPC systems: Special purpose processors as accelerators (GPU, FPGA, Xeon Phi, …)


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General purpose MD software packages

• GROMACS, www.gromacs.org• NAMD, www.ks.uiuc.edu/Research/namd/

http://www.gromacs.org/

http://www.ks.uiuc.edu/Research/namd/


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• Dense and sparse matrices, linear equations• PDE (“Partial Differential Equations”, multi-grid methods)• N-body problems (MD again)• …

• Many (parallel) support libraries: • BLAS -> LAPACK -> ScaLAPACK• Intel’s MKL (Math Kernel Library)

• MAGMA/PLASMA

• FLAME/Elemental/PLAPACK [R. van de Geijn]

Other typical components in scientific computing applications

• PETSc (“Portable Extensible Toolkit for Scientific computation”)


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Ad. 2: Template High-Performance Computing architecture

Georg Hager, Gerhard Wellein: Introduction to High Performance Computing for Scientists and Engineers. Chapman and Hall / CRC computational science series, CRC Press 2011, ISBN 978-1-439-81192-4, pp. I-XXV, 1-330

• Typical elements of modern, parallel (High-Performance Computing) architectures: “A qualitative approach”

• Balance: Which architecture for which applications?

• Levels of parallelism

• Parallelism in programming model/interface


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L1

Lk

Main memory

Communication network

L1 L1

Lk

L1

SIMD

Acc

L1

Lk

Main memory

L1 L1

Lk

L1

SIMD

Acc

• Hierarchical designs: core, processor, node, rack, island, …• Orthogonal capabilities: Accelerators, vectors • Different types parallelism at all levels

NIC NIC


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L1

Lk

Main memory


L1 L1

Lk

L1

SIMD

Acc

L1

Lk

Main memory

L1 L1

Lk

L1

SIMD

Acc

• Total number of cores (what counts as a core?)• Size of memories• Properties of communication network

NIC NIC


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Main memory

Lk

L1

SIMD

Acc

Memory hierarchy

• Compute performance: How many instructions can each core perform per clock cycle (superscalar≥1)

• Special instructions&FUs: Vector, SIMD, FMA, (CISC…)• Accelerator (if integrated in core)

Parallelism in core:• Implicit, hidden (ILP)• Explicit SIMD• Explicit accelerator (GPU)How expressed, exploited?


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Compute performance measured in FLOPS: Floating Point Operations per Second

Floating Point: In HPC almost always 64-bit IEEE Floating Point number (32 bits too little for many scientific applications, but not all!)

FLOPS

M(ega)FLOPS 106

G(iga)FLOPS 109

T(era)FLOPS 1012

P(eta)FLOPS 1015

E(xa)FLOPS 1018

Z(etta)FLOPS 1021

Y(otta)FLOPS 1024

System peak Floating Point Performance (Rpeak)

Definition (HW peak performance):Rpeak ≈ClockFrequency x #FLOP/Cycle x#CPU’s x #Cores/CPU

Optimistic, best case upper bound


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Main memory

Lk

L1

SIMD

• Compute performance: How many instructions can core perform per clock cycle (superscalar≥1)

• Special instructions&FUs: Vector, SIMD (v≥1 operations per cycle)

Vector processor:Performance from wide SIMD unit

High performance for applications with large vectors

Memory hierarchySuperscalar: Multiple pipelines (integer, logical, FP add, FP mul, …

Requires right mix of instructions


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Parallelism through• Pipelining: Also complex

instructions can be delivered once per cycle. Problem: dependencies, branches

• Multiple pipelines: Several different, independent instructions can be executed concurrently

Superscalar: Multiple pipelines (integer, logical, FP add, FP mul, …


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Main memory

Lk

L1

SIMD

Acc

• Compute performance: How many instructions can core perform per clock cycle (superscalar≥1)

• Special instructions&FUs: Vector, SIMD• Accelerator: In core or external (e.g., GPU)

Heavily accelerated system, one or more accelerators

How tightly integrated with memory system/core?

High performance for applications that fit with accelerator model Acc memory

Memory hierarchy


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Main memory

Lk

L1

SIMD

Acc

• Memory hierarchy: Latency (number of cycles to access first Byte), Bandwidth (Bytes/second)

• Balance between compute performance and memory bandwidth

• Memory access times not uniform (NUMA)

Memory hierarchy


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Definition (HW Peak Performance):

Rpeak ≈ ClockFrequency x #FLOP/Cycle x #CPU’s x #Cores/CPU

Definition:The hardware efficiency is the ratio Rmax/Rpeak, with Rmax the measured (sustained) application performance, Rpeak the nominal HW peak performance

Measured application performance (sustained performance): How many FLOPS does application achieve on system?

Note: This efficiency measure is totally different from the algorithmic efficiency E = SU/p

What if efficiency « 1?


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Main memory

Lk

L1

SIMD

Acc

Application is:• Compute bound, if number of FLOPs per Byte read+written

larger than memory bandwidth• Memory bound, if number of FLOPs per Byte read+written

smaller than memory bandwidth

Memory hierarchy


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Given application (kernel) A:

Arithmetical (Operational) intensity OI:Count (average) number of (Floating Point) OPerations per Byte read/written

Required BW, RB: HW Performance in (FL)OPS divided by OI

Memory bound: RB > MBCompute bound: RB < MB

Property of application

a = x*x+2*x*x*x+3*x*x*x*x+4*x*x*x*x*x;

Performance and memory bandwidth (MB) properties of processor and memory system

Example: Calculate RB on 2GHz, not superscalar processor, 64-bit Float

OI = 16/(2*8) = 1 FLOP/Byte, RB = 2GByte/s Can memory system deliver?


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L1

Lk

Main memory

L1 L1

Lk

L1

SIMD

Acc

Memory hierarchy

Multi-core CPU

• Cache hierarchy: 2, 3, 4, … levels: How to exploit efficiently (capacity, associativity, …)?

• Caches shared at certain levels (different in different processors, e.g., AMD, Intel, …)

• Caches coherent?• Memory typically (very) NUMA

Cache management most often transparent (done by CPU); can have hugeperformance impact.

Applications do not benefit equally well from cache system

Shared memory parallelism (OpenMP, threads, MPI, …)


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L1

Lk

Main memory


L1 L1

Lk

L1

SIMD

Acc

NIC

Properties of communication network:• Latency (time to initiate communication, first Byte),

Bandwidth (Bytes/second) or time per unit• Contention?

• How powerful is the network (performance, capabilities)?

• How is communication network integrated with memory and processor?

• What can communication coprocessor (NIC) do?

• Possible to overlap communication and computation?


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L1

Lk

Main memory


L1 L1

Lk

L1

SIMD

Acc

NIC

Application is:• Communication bound: Number of FLOPs per Byte (OI)

smaller than communication bandwidth

Large number of cores with large compute performance (accelerator) share network bandwidth

Network parallelism:• Explicit (MPI-like),

implicit?• Between cores,

between nodes?


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Roofline model: How well does application exploit given HW?

1. Estimate HW peak performance, in (FL)OPS2. Estimate (main) memory bandwidth, in Bytes/s

3. Roof 1: Compute and plot Memory Performance as function of OI:

Memory Performance (in (FL)OPS) = OI (Operations/Byte)*BW (Bytes/s)

4. Roof 2: Plot HW peak performance as function of OI (constant)

Architectural HW roofs

Definition: The (OI,Roof) plot is the roofline model for the given architecture


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1. Estimate OI (arithmetical/operational intensity)

2. Measure achieved performance of application (FLOPS)

The application/kernel/algorithm/implementation

The (OI,Performance) is one point in the roofline model: If this point is close to a roof, the application is exploiting the HW (memory system, compute capability) well

Roofline model (most often): log-log plot


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“Theoretical” roofline analysis:Inspect kernel, algorithm, application: How many FLOPs per Byte read+written. Use specifications of hardware.

“Empirical” roofline analysis:Measure memory bandwidth, e.g., STREAM benchmark.Measure OI, e.g. using hardware performance counters (how many operations of different types, how many Bytes read+written?)

Hardware performance: Study architecture, specification


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Norman P. Jouppi, Cliff Young, Nishant Patil, David A. Patterson: Motivation for and Evaluation of the First Tensor Processing Unit. IEEE Micro 38(3): 10-19 (2018)

TPUv1, GPU K80, Intel Haswellroofline models

Roofs for TPUv1

Application


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Roofline analysis of application on given hardware

• If application is close to either memory or performance roofs: Exploits architecture well

• If application is close to memory roof, but far from performance roof: too low OI, rethink algorithm to do more operations per Byte read+written

• If application is far from roofs: Architecture not exploited, wrong mix of operations, no vectorization, dependencies, …


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From https://crd.lbl.gov/departments/computer-science/par/research/roofline/introduction/

https://crd.lbl.gov/departments/computer-science/par/research/roofline/introduction/


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Sophisticated roofline models:

• HW roofs for different types of functional units: FMA, SIMD (avx2), …

• HW roof for different kinds of operations: FP, integer, logical

• Different types of memory (caches, L1, L2, L3, main memory)• Communication?


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From https://crd.lbl.gov/departments/computer-science/par/research/roofline/software/ert/

https://crd.lbl.gov/departments/computer-science/par/research/roofline/software/ert/


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From https://crd.lbl.gov/departments/computer-science/PAR/research/roofline/introduction/

Typical arithmetical (operational) intensities

Prefix-sums, BFS, DFS, Merging, Sorting, …

https://crd.lbl.gov/departments/computer-science/PAR/research/roofline/introduction/


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Samuel Williams, Andrew Waterman, David A. Patterson: Roofline: an insightful visual performance model for multicore architectures. Commun. ACM 52(4): 65-76 (2009)

Nicolas Denoyelle, Brice Goglin, Aleksandar Ilic, Emmanuel Jeannot, Leonel Sousa: Modeling Non-Uniform Memory Access on Large Compute Nodes with the Cache-Aware Roofline Model. IEEE Trans. Parallel Distrib. Syst. 30(6): 1374-1389 (2019)Aleksandar Ilic, Frederico Pratas, Leonel Sousa:Beyond the Roofline: Cache-Aware Power and Energy-Efficiency Modeling for Multi-Cores. IEEE Trans. Computers 66(1): 52-58 (2017)

David Cardwell, Fengguang Song: An Extended Roofline Model with Communication-Awareness for Distributed-Memory HPC Systems. HPC Asia 2019: 26-35

Roofline model(s): References


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Some past and present HPC architectures

Looking at Top500 list: www.top500.org

Ranks supercomputer performance by LINPACK benchmark (HPL), updated twice yearly (June, ISC Germany; November ACM/IEEE Supercomputing)

http://www.top500.org/


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Serious background of Top500:Benchmarking to evaluate (super)computer performance

In HPC: Often based on one single benchmarkHigh Performance LINPACK (HPL) solves a system of linear equations under specified constraints (minimum number of operations), see www.top500.org

HPL performs well (high computational efficiency, high OI) on many architectures; allows a wide range of optimizations

HPL is less demanding on communication performance: Compute bound, OI (operational intensity) of O(n) FLOPs per Byte

HPL does not give a balanced view of “overall” system capabilities (communication)

HPL is politically important… (much money lost because of HPL…)



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LINPACK performance as reported in Top500

• Rmax: FLOPS measured by solving large LINPACK instance• Nmax: Problem size for reaching Rmax• N/2: Problem size for reaching Rmax/2• Rpeak: System Peak Performance as computed by system

owner

Number of double precision floating point operations needed for solving the linear system must be (at least) 2/3 n3 + O(n2)

Excludes• Strassen and other asymptotically fast matrix-matrix

multiplication methods• Algorithms that compute with less than 64-bit precision


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June 2019

#500 system

#1 system

What are the systems at the jumps?

All systems


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June 2020

#500 system

#1 system

All systems


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June 2020: Rank #1

System Cores Rmax(TFLOPS

Rpeak(TFLOPS)

Power(kW)

Fugaku: A64FX 48C 2.2GHz, Tofu interconnect D, Fujitsu RIKEN Center for Computational ScienceJapan

7,299,072 415,530.0 513,854.7 28,335


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June 2019: Rank #1

System CoresRmax(TFLOPS)

Rpeak(TFLOPS)

Power (kW)

Summit: IBM Power System AC922, IBM POWER9 22C 3.07GHz, NVIDIA Volta GV100, Dual-rail MellanoxEDR Infiniband , IBM DOE/SC/Oak Ridge National LaboratoryUnited States

2,414,592 148,600.0 200,794.9 10,096


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Rpeak(TFLOPS)

Power (kW)

Sierra: IBM Power System S922LC, IBM POWER9 22C 3.1GHz, NVIDIA Volta GV100, Dual-rail MellanoxEDR Infiniband , IBM / NVIDIA / MellanoxDOE/NNSA/LLNLUnited States

1,572,480 94,640.0 125,712.0 7,438

June 2019: Rank #2


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November 2017: Rank #1


Rpeak(TFLOPS)

Power (kW)

SunwayTaihuLight:Sunway MPP, Sunway SW26010 260C 1.45GHz, Sunway , NRCPC National Supercomputing Center in WuxiChina

10,649,600 93,014.6 125,435.9 15,371

https://www.top500.org/system/178764


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MasPar (1987-1996) MP2

Thinking Machines (1982-94) CM2, CM5

MasPar, CM2:SIMD machinesCM5: MIMD machine


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“Top” HPC systems 1993-2000 (from www.top500.org)



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Earth Simulator (2002) and Earth Simulator 2 (2009)


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K computer (2011) and Fugaku (2020)


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HPL is politically important… (much money lost because of HPL…)

HPL is used to make projections on supercomputing performance trends (as Moore’s “Law”)

HPL is a co-driver for supercomputing “performance” development:It is hard (for a compute center, for a politician, …) to defend building a system that will not rank highly on Top500

Strong (political) drive towards Exascale:

PetaFLOPS was achieved in 2008, ExaFLOPS expected ca. 2018-2020, by simple extrapolation from Top500


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November 2016

According to projection, 2018/19 ExaFlop prediction will not hold

Why not? Any specific obstacles to ExaScaleperformance?


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November 2017



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June 2019



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June 2020


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HPCC: www.hpcchallenge.org: Benchmark suite (DGEMM, STREAM, PTRANS, Random Access, FFT, B_Eff)HPCG: http://hpcg-benchmark.orgHPGMG: https://crd.lbl.gov/departments/computer-science/PAR/research/hpgmg

Graph500 (Graph search, BFS): www.graph500.orgGreen500 (Energy consumption/efficiency): www.green500.org

Other HPC systems benchmarks

Intended to complement HPL or to highlight other aspects

STREAM: www.cs.virginia.edu/stream: Memory performance

Still active? Part of Top500

http://www.hpcchallenge.org/

http://hpcg-benchmark.org/

https://crd.lbl.gov/departments/computer-science/PAR/research/hpgmg

http://www.graph500.org/

http://www.green500.org/

http://www.cs.virginia.edu/stream


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NAS Parallel Benchmarks (NPB): https://www.nas.nasa.gov/publications/npb.html: Benchmark suite of small kernels• IS: Integer sort• EP: Embarassingly parallel• CG: Conjugate Gradient• MG: Multigrid• FT: Discrete 3D Fast Fourier Transform• BT: Block tridiagonal solver• SP: Scalar Pentadioganal solver• LU: Lower-Upper factorization Gauss-Seidel solver

Often used in research papers. What is evaluated, under which conditions, and compared to what? Understand the benchmarks

https://www.nas.nasa.gov/publications/npb.html


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Mini Application suite (https://mantevo.org):

• MiniAMR: Adaptive Mesh Refinement• MiniFE: Finite Elements• MiniGhost: 3D halo exchange (ghost cells) for finite

differencing• MiniMD: Molecular Dynamics• CloverLeaf: compressible Euler equations • TeaLeaf: Linear heat conduction equation

https://mantevo.org/


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• Very early days: Single-processor supercomputers (vector)• After ‘94, all supercomputers are parallel computers

• Earlier days: Custom-made, unique – highest performance processor + highest performance network

• Later days, now: Custom convergence, weaker standard processors, but more of them, weaker networks (InfiniBand, Tori, …)

• Recent years: Accelerators (again): GPUs, FPGA, MIC, …

Using top500: Broad trends in HPC systems architecture

Much interesting computer history in top500 list; but also much is lost, and many details are not there. See what you can find


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Example: the Earth Simulator 2002-2004 (#1)


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System Vendor Cores Rmax(GFLOPS)

Rpeak(GFLOPS)

Power(KW)

Earth-Simulator

NEC 5120 35860.00 40960.00 3200.00

June 2002, Earth Simulator

• Rmax: Performance achieved on HPL• Rpeak: “Theoretical Peak Performance”, best case, all

processors fully busy

Power: Processors only (cooling, storage)?


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Power supply

• ~40TFLOPS

• 5120 vector processors• 8 (NEC SX6) processors per node• 640 nodes, 640x640 full crossbar interconnect

BUT: Energy expensive

Earth Simulator 2 (2009) onlyvector system on Top500

• ~15MW


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Vector processor operates on long vectors, not only scalars

Peak performance: 8GFlops (all vector pipes active)

Long vectors:256 element (double/long) vectors

Vector architecture pioneered by Cray (Cray-1 1976, late 60ties, early 70ties). Other vendors: Convex, Fujitsu, NEC, …


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Main memory

SIMD

• One instruction• Several, deep pipelines can be kept busy by long vector

registers, no branches, no pipeline stalls• Sufficient memory bandwidth to prefetch next register

during vector instruction execution must be available

Vector registers

1


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Main memory

SIMD



during vector instruction execution must be available

Vector registers

2


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Main memory

SIMD



during vector instruction execution must be available • Can sustain several operations per clock over a long interval

Vector registersSIMD

k

Banked memory for high vector bandwidth


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Main memory

SIMD



during vector instruction execution must be available • Can sustain several operations per clock over a long interval

Vector registersSIMD

HPC: Pipelines for different types of (mostly Floating Point) operations found in applications (add, mul, divide, √, …; additional special hardware)

Large vector register bank, different types (index, mask)

Banked memory for high vector bandwidth


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Prototypical SIMD/data parallel architecture

One (vector) instruction operates on multiple data (long vectors)

G. Blelloch: Vector Models for Data Parallel Computing”, MIT Press, 1990


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int a[], b[n], c[n];

double x[n], y[n], z[n];

double xx[n], yy[n], zz[n];

for (i=0; i<n; i++) {

a[i] = b[i]+c[i];

x[i] = y[i]+z[i];

xx[i] = (yy[i]*zz[i])/xx[i];

}

for (i=0; i<n; i+=v) {

vadd(a+i,b+i,c+i);

vdadd(x+i,y+i,z+i);

vdmul(t,yy+i,zz+i);

vddiv(xx+i,t,xx+i);

}

Simple “data parallel (SIMD) loop”, n independent (floating point) operations translated into n/v vector operations

Translates to sth. like

Can keep both integer and floating point pipes busy

n>>v: iteration i can prefetch vector for iteration i+v


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High memory bandwidth by organizing memory into banks (NEC SX-6: 2K banks)

Element i, i+1, i+2, … in different banks, element i and i+2K in same bank: bank conflict, expensive because of serialization

32 Memory units, 64 banks each

Special communication processor (RCU) directly connected to memory system


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Vectorizable loop structures

for (i=0; i<n; i++) {

a[i] = b[i]+c[i];

}

for (i=0; i<n; i++) {

a[i] = a[i]+b[i]*c[i];

}

DAXPY, fused multiply add (FMA)

Simple loop, integer (long) and floating point operations

Typically pipelines for • floating point add, multiply, divide; • some integer operations; • daxpy; square root; …


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for (i=0; i<n; i++) {

if (cond[i]) a[i] = b[i]+c[i];

}

Conditional execution handled by masking

for (i=0; i<n; i++) {

R[i] = b[i]+c[i];

MASK[i] = cond[i];

if (MASK[i]) a[i] = R[i];

}

Roughly translates to:

MASK special register for conditional store, R temporary register

Wasteful when number of true-branches is small


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#pragma vdir vector,nodep

for (i=0; i<n; i++) {

a[ixa[i]] = b[ixb[i]]+c[ixc[i]];

}

Gather/Scatter operations.Compiler may need help

Can cause memory bank conflicts, depending on index vector (many indices to same bank: serialization)

Memory bandwidth dependent on access pattern


87


#pragma vdir vector

for (i=1; i<n; i++) {

a[i] = a[i-1]+a[i];

}

min = a[0];

#pragma vdir vector

for (i=0; i<n; i++) {

if (a[i]<min) min = a[i];

}

Prefix-sums

Min/max operations

With special hardware support


88

#pragma vdir vector,nodep

for (i=0; i<n; i++) {

a[s*i] = b[s*i]+c[s*i];

}

Strided access

Can cause memory bank conflicts (some strides always bad)


Large-vector processors currently out of fashion in HPC, almost non-existent

NEC SX-8 (2005), NEC SX-9 (2008), NEC SX-ACE (2013)

2009-2013: No NEC vector processors (market lost?)


89

NEC SX-Aurora TSUBASA: Vector Engine (ca. 2017)

• 8-core vector processor

• 1.2 TBytes/Second memory bandwidth Rpeak: 2.45TFLOPS


90

Many scientific applications fit well with vector model. Irregular, non-numerical applications often not

Mature compiler technology for vectorization and optimization(loop splitting, loop fusion…). Aim: Keep vector pipes busy

Allen, Kennedy: “Optimizing Compilers for Modern Architectures”, MKP 2002

Scalar (non-vectorizable) code carried out by standard, scalar processor; amount limits performance (Amdahl’s Law)

Vector programming model: Loops, sequential control flow, compiler handles parallelism (implicit) by vectorizing loops (some help from programmer)


91

Small scale vectorization: Standard processors

• MMX, SSE, AVX, AVX2,… (128 bit vectors, 256 bit vectors)

• Intel MIC/Xeon Phi: 512 bit vectors, new, special vector instructions (2013: Compiler support not yet mature; 2016: Much better), AVX-512 (2018: Xeon Phi defunct!)

High performance on standard processors:• Exploit vectorization potential• Check whether loops where indeed vectorized (gcc –ftree-

vectorizer-verbose=n …, in combination with architecture specific optimizations)

• Intrinsics

2, 4, 8 Floating Point operations simultaneously by one vector instruction (no integers?)


92

Support for vectorization in OpenMP 3.0

#pragma omp simd [clauses…]

for (i=0; i<n; i++) {

a[i] = b[i]+c[i];

}

Clauses: reduction (for sums), collapse (for nested loops)


93

Explicit parallelism

• 8-way SMP (8 vector processor per shared-memory node)• Not cache-coherent• Nodes connected by full crossbar

2-level explicit parallelism:

• Intra-node with shared-memory communication

• Inter-node with communication over crossbar


94

Coherence

Memory system is coherent, if any update (write) to memory by any processor will eventually become visible to any other processor

L1 x

Lk

Main memory

L1 L1

Lk

L1 x

Cache coherence: Any update to a value in cache of some processor will eventuallybecome visible to any other processor (regardless of whether in cache of other processor)

Maintaining cache coherence (across sockets/large multi-cores) can be expensive!


95

Memory behavior, memory model

• Access (read, write) to different locations may take different time (NUMA: memory network, placement of memory controllers, caches, write buffers)

• In which order will updates to different locations by some processor become visible to other processors?

• Memory model specifies: Which accesses can overtake which other accesses

Sequential consistency: Accesses take effect in program order

Most modern processors are not sequentially consistent


96

No cache-coherence: Earth Simulator/NEC SX

• Scalar unit of vector processor has cache• Caches of different processors not coherent• Vector units read/write directly to memory, no vector caches• Write-through cache

Different design choice:Cray X1 (vector computer early 2000) had a different, cache-coherent design

• Nodes must coordinate and synchronize• Parallel programming model (OpenMP, MPI) helps

D. Abts, S. Scott, D. J. Lilja: “So Many States, So Little Time: Verifying Memory Coherence in the Cray X1”, IPDPS 2003: 11


97

Example: MPI and cache non-coherence

i j

MPI_Recv(&y,…,comm,&status);

MPI_Send(&x,…,comm);

x: Mem of rank i y: Mem of rank j

y: Cache of j

Coherency/consistency needed after MPI_Recv: rank j must invalidate cache(lines) at the point where MPI requires coherence (at MPI_Recv)

Incoherent state

Processes i and j on same node

Vectorized memcpy

write


98

Example: MPI and cache non-coherence

i j

MPI_Recv(&y,…,comm,&status);

MPI_Send(&x,…,comm);

x: Mem of rank i y: Mem of rank j

y: Cache of j

Coherency/consistency needed after MPI_Recv:clear_cache instruction invalidates all cache lines

Incoherent state

Expensive: 1) clear_cache itself; 2) all cached values lost!

Further complication with MPI: structured data/data types; address &y alone does not tell where the data are

Vectorized memcpy

write


99

Example: OpenMP and cache non-coherence

#pragma omp parallel for

for (i=0; i<n; i++) {

x[i] = f(y[i]);

}

Sequential region: All x[i]’s visible to all threads

OpenMP: All regions (parallel, critical, …) require memory in a consistent state (caches coherent); implicit flush/fence constructs to force visibility (in OpenMP construct)

Lesson: Higher-level programming models can help to alleviate need for low-level, fine-grained cache coherency.


100

Cache coherence debate

• Cache: Beneficial for applications with spatial and/or temporal locality (not all applications have this: Graph algorithms)

• Caches a major factor in single-processor performance increase (since sometime in the 80ties)

Many new challenges for caches in parallel processors:• Coherency• Scalability• Resource consumption (logic=transistors=chip area; energy)• …

Milo M. K. Martin, Mark D. Hill, Daniel J. Sorin: Why on-chip cache coherence is here to stay. Commun. ACM 55(7): 78-89 (2012)

Too expensive?


101

MPI and OpenMP

Still most widely used programming interfaces/models for parallel HPC (there are contenders)

MPI: Message-Passing Interface, see www.mpi-forum.org

• MPI processes (ranks) communicate explicitly: point-to-point-communication, one-sided communication, collective communication, parallel I/O

• Subgrouping and encapsulation (communicators)• Much support functionality

OpenMP: shared-memory interface (C/Fortran pragma-extension), data (loops) and task parallel support, see www.openmp.org

http://www.mpi-forum.org/

http://www.openmp.org/


102

Partitioned Global Address Space (PGAS) alternative to MPI

Addressing mechanism for part of the processor-local address space can be shared between processes; referencing non-local parts of partitioned space leads to implicit communication

Language or library supported:Some data structures (typically arrays) can be declared as shared (partitioned) across (all) threads

Note:PGAS not same as Distributed Shared Memory (DSM). PGAS explicitly controls which data structures (arrays) are partitioned, and how they are partitioned


103

Global array(s):

Thread k owns

a:

Each block of global array in local memory of some process/thread

Simple, block cyclic distribution of array a

PGAS:Data structures (simple arrays) partitioned (shared) over the memory of p threads


104

Global array(s):

Thread k owns

b = a[i];

a[j] = b;

Thread k:

PGAS Memory model:Defines when update becomes visible to other threads

entails communication if index i or index j is not owned by thread k

a:

Each block of global array in local memory of some process/thread


105

Global array(s):

a[i] = b[j];

Thread k:

even if neither a[i] nor b[j] owned by k

Thread k owns

PGAS Memory model:Defines when update becomes visible to other threads

a:


106

Global array(s):

forall(i=0; i<n; i+) {

a[i] = f(x[i]);

}

Owner computes rule:Thread k performs updates only on the elements(indices) owned by/local to k

partitioned (shared) over the memory of p threads

Thread k owns

a:


107

Typical PGAS features:

Even more extreme:SIMD array languages, array operations parallelized by library and runtime

Often less support for library building (process subgoups) than MPI

• Array assignments/operations translated into communication when necessary based on ownership

• Mostly simple, block-cyclic distributions of (multi-dimensional) arrays

• Collective communication support for redistribution, collective data transfer (transpositions, gather/scatter) and reduction-type operations

• Bulk-operations, array operations


108

Some PGAS languages/interfaces:

• UPC/UPC++: Unified Parallel C, C/C++ language extension; collective communication support; severe limitations

• CaF: Co-array Fortran, standardized, but limited PGAS extension to Fortran

• CAF2: considerably more powerful, non-standardized Fortran extension

• X10 (Habanero): IBM asynchronous PGAS language• Chapel: Cray, powerful data structure support• Titanium: Java-extension

• Global Arrays (GA): older, PGAS-like library for array programming , see http://hpc.pnl.gov/globalarrays/

• HPF: High-Performance Fortran

Fortran is still an important language in HPC

http://hpc.pnl.gov/globalarrays/


109

Mattias De Wael, Stefan Marr, Bruno De Fraine, Tom Van Cutsem, Wolfgang De Meuter: Partitioned Global Address Space Languages. ACM Comput. Surv. 47(4): 62:1-62:27 (2015)

Activity, maturity of PGAS languages?

UPC finds some applications

Martina Prugger, Lukas Einkemmer, Alexander Ostermann: Evaluation of the partitioned global address space (PGAS) model for an inviscid Euler solver. Parallel Computing 60: 22-40 (2016)

No new developments for the past decade? Implementation status and performance not discussed. Many PGAS language implementations use MPI as (default) communication layer


110

The Earth Simulator: Interconnect

Full crossbar:• Each node has a direct link (cable) to each other node• Full bidirectional communication over each link• All pairs of nodes can communicate simultaneously without

having to share bandwidth• Processors on node shared crossbar bandwidth• Strong: 12.6 GByte/s BW vs. 64GFLOPS/node; for each Byte

communicated ca. 6 FLOPs AI needed in application, otherwise processor idles


111

Fully connected network, p nodes, floor(p/2) possible pairs, in all pairings all nodes can communicate directly

Maximum distance between any two nodes (diameter): one link

P N NNN

P N NNN

P N NNN

P N NNN

Fully connected network realized as (indirect) crossbar network


112

Hierarchical/Hybrid communication subsystems

• Processors placed in shared-memory nodes; processors on same node are “closer” than processors on different nodes

• Different communication media within nodes (e.g., shared-memory) and between nodes (e.g., crossbar network)

• Processors on same node share bandwidth of inter-node network

• Compute nodes may have one or more “lanes” (rails) to network(s)

M

P P P P

M

P P P P

M

P P P P

M

P P P P



113

M

P P P P

M

P P P P

M

P P P P

M

P P P P


Actually, many more hierarchy levels:• Cache (and memory) hierarchy:

L1 (data/instruction) -> L2 –> L3 (…)• Processors (multi-core) share caches at certain levels

(processor may differ, e.g., AMD vs. Intel)• Network may itself be hierarchical (Clos/fat tree:

InfiniBand): Nodes, Racks, Islands, …


114

Part 1

Hierarchical communication system

Processors can be partitioned (non-trivially) such that:• Processors in same partition communicate with roughly same

performance (latency, bandwidth, number of ports, …)• Processors in different partitions communicate with roughly

same (lower) performance

Part 0 Part 1 Part k

Processors

…

Can again be hierarchical

A crossbar network is nothierarchical (all processors can communicate with same performance


115

“Pure”, homogeneous programming models oblivious to hierarchy• MPI (no performance model, only indirect mechanisms for

grouping processes according to system structure: MPI topologies)

• UPC (local/global, no grouping at all)• …

Implementation challenge for compiler/library implementer to take hierarchy into account:• Point-to-point communication uses closest path, e.g., shared

memory when possible• Efficient, hierarchical collective communication algorithms

exist (for some cases, still incomplete and immature)

Programming model and system hierarchy


116

“Pure”, homogeneous programming models oblivious to hierarchy

Application programmer relies on language/library to efficiently exploit system hierarchy:

• Portability!• Performance portability?! All library/language functions give

good performance on (any) given system, thus an application whose performance is dominated by library/language function will perform predictable when porting to another system

Sensible to analyze performance in terms of collective operations (building blocks), e.g.,

T(n,p) = TAllreduce(p)+TAlltoall(n)+TBcast(np)+O(n)


117

Hybrid/heterogeneous programming models (“MPI+X”)

• Conscious to certain aspects/levels of hierarchy• Possibly more efficient application code:

• Example: MPI+OpenMP

• Less portable, less performance portable• Sometimes unavoidable (accelerators): OpenCL, OpenMP,

OpenACC, …

M

P P P P

M

P P P P

M

P P P P

M

P P P P


OpenMP

MPI between master threads


118

Earth simulator 2/SX-9, 2009

Compared to SX-6/Earth Simulator:• More pipes• Special pipes (square root)

Peak performance >100GFLOPS/processor


119

Peak performance/CPU

102.4GflopsTotal number of CPUs

1280

Peak performance/PN

819.2GflopsTotal number of PNs

160

Shared memory/PN

128GByteTotal peak performance

131Tflops

CPUs/PN 8 Total main memory

20TByte

Earth Simulator 2/SX-9 system


120

Cheaper communication network than full crossbar: Fat-Tree


121

Fat-Tree: Indirect (multi-stage), hierarchical network

P P

N

P P

N

P P

N

P P

N

N N

N

Tree network, max 2 log p “hops” between processors, p-1 “wires”


122

P P

N

P P

N

P P

N

P P

N

N N

N

Bandwidth increases, “fatter” wires

C. E. Leiserson: Fat-Trees: Universal Networks for Hardware-Efficient Supercomputing. IEEE Trans. Computers 34(10): 892-901, 1985



123

P P

N

P P

N

P P

N

P P

N

N N

N

C. E. Leiserson: Fat-Trees: Universal Networks for Hardware-Efficient Supercomputing. IEEE Trans. Computers 34(10): 892-901, 1985

Thinking Machines CM5, on first, unofficial Top500



124

P P

N

P P

N

P P

N

P P

N

N NN N N

N

N

NN N NN Realization with N small crossbar switches


Example: InfiniBand


125

Example: The Blue Gene’s, 2004 (#1)


126

System Vendor CoresRmax(GFLOPS)

Rpeak(GFLOPS)

BlueGene/L DD2 beta-System (0.7 GHz PowerPC 440)

IBM 32768 70720.00 91750.00

November 2004, Blue Gene/L


127

Large number of cores (2012: 1572864 – Sequioa system), weaker cores, limited memory per core/node

IBM Blue Gene L• ~200.000 processing cores• 256MBytes to 1G/core

Note:Not possible to locally maintain state of whole system, 256MBytes/200.000 ~ 1KBytes

• Applications that need to maintain state information for each other process in trouble

• Libraries (e.g., MPI) that need to maintain state information for each process in (big) trouble


128

• “slow” processors, 700-800MHz• Simpler processors, limited out-of-order, branch-prediction• BG/L: 2-core, not cache-coherent• BG/P: 4-core, cache-coherent• BG/Q: ?• Very memory constrained (512MB to 4GB/node)• Simple, low-bisection 3d-torus network

Energy efficient, heavily present on Green500

P P P P

P P P P

P P P P

P P P P

Note:Torus is not a hierarchical network


129

José E. Moreira, Valentina Salapura, George Almási, Charles Archer, Ralph Bellofatto, Peter Bergner, Randy Bickford, Matthias A. Blumrich, José R. Brunheroto, Arthur A. Bright, Michael Brutman, José G. Castaños, Dong Chen, Paul Coteus, Paul Crumley, Sam Ellis, Thomas Engelsiepen, Alan Gara, Mark Giampapa, Tom Gooding, Shawn Hall, Ruud A. Haring, Roger L. Haskin, Philip Heidelberger, Dirk Hoenicke, Todd Inglett, Gerard V. Kopcsay, Derek Lieber, David Limpert, Patrick McCarthy, Mark Megerian, Michael Mundy, Martin Ohmacht, Jeff Parker, Rick A. Rand, Don Reed, Ramendra K. Sahoo, Alda Sanomiya, Richard Shok, Brian E. Smith, Gordon G. Stewart, Todd Takken, PavlosVranas, Brian P. Wallenfelt, Michael Blocksome, Joe Ratterman: The Blue Gene/L Supercomputer: A Hardware and Software Story. International Journal of Parallel Programming 35(3): 181-206 (2007)

On the BlueGene/L System


130

George Almási, Charles Archer, José G. Castaños, John A. Gunnels, C. Christopher Erway, Philip Heidelberger, Xavier Martorell, José E. Moreira, Kurt W. Pinnow, Joe Ratterman, Burkhard D. Steinmacher-Burow, William Gropp, Brian R. Toonen:Design and implementation of message-passing services for the Blue Gene/L supercomputer. IBM Journal of Research and Development 49(2-3): 393-406 (2005)

On MPI for the BlueGene/L System


131

Example: Road Runner, 2008 (#1)

First PetaFLOP system, seriously accelerated

Decommissioned 31.3.2013


132

System Vendor CoresRmax(TF)

Rpeak(TF)

Power(KW)

BladeCenter QS22/LS21 Cluster, PowerXCell 8i 3.2 Ghz / Opteron DC 1.8 GHz, Voltaire InfiniBand

IBM 129600 1105.0 1456.7 2483.00

November 2008, Road Runner

What counts as a “core”?


133

• 3240 Nodes• 2x2-core AMD processors • 2 IBM Cell Broadband Engine (CBE)

• InfiniBand interconnect (single rail, 288 port IB switch)

Node

InfiniBand interconnect

Highly imbalanced:Node performance: ~600GFLOPS Communication Bandwidth/node: few Gbytes/s

Early, accelerated system


134

25,6GByte/sTotal BW>300GByte/s

Standard IBM scalar PowerPC architecture

Multiple ring network with atomic operations

~total 250GFLOPS


135

25.6 GFLOPS (32-bit!)

• SIMD (128-bit vectors, 4 32-bit words)

• Single-issue, no out-of-order capabilities, limited (no?) branch prediction

Small local storage, 256KB, no cache (no coherency)


136

Complex, heterogeneous system: Complex programming model (?)

• Deeply hierarchical system: SPE’s -> PPE -> Multi-core -> InfiniBand

• MPI communication between multi-core nodes, either all processors per node or one process per node

• Possibly OpenMP/shared memory model on nodes• Offload to CBE of compute-intensive kernels• CBE programming: PPE/SPE, vectorization, explicit

communication between SPE’s, PPE, node-memory

Road Runner requires very (very) compute intensive applications

Extremely high AI (arithmetic/operational intensity) needed to exploit this system


137

MPI communication

• Let the SPEs of the Cell be full-fledged MPI processes• Offload to CPUs as needed/possible

Pakin et al.: The reverse-acceleration model for programming petascale hybrid systems. IBM J. Res. And Dev, (5): 8, 2009

Drawbacks:• Latency high (SPE -> PPE -> CPU -> IB)• Supports only subset of MPI


138

M

P P P P

M

P P P P

M

P P P P

M

P P P P


Single rail: One connection to network, one network


139

M

P P P P

M

P P P P

M

P P P P

M

P P P P


Communication bandwidth can be improved by providing more lanes (rails) to network, and more duplicates of network (multi-rail). Network costs increase proportionally

Examples:• VSC-3 (2014)• Summit, Sierra (2018)

Top500 exercise: Which was the first multi-rail system? When?


140

• “LIMIEUX”, Pittsburg Supercomputing Center, 2001-2006, dual rail Quadrics https://www.psc.edu/news-publications/30-years-of-psc (Top500 #2, Nov. 2001)

• “Pleiades”, NASA Ames, some nodes with multi-ported InfiniBand (Top500 #11, Nov. 2008)

• “TSUBAME 2.0”, some nodes with 2xInfiniBand (Top500 #4, Nov. 2010)

”Solution” to exercise, information not in Top500

Thanks to Anton Görgl, WS 2019

https://www.psc.edu/news-publications/30-years-of-psc


141

Example: the Fujitsu K Computer, 2011 (#1)


142


Rpeak(TF)

Power(KW)

K computer, SPARC64 VIIIfx 2.0GHz, Tofu interconnect

Fujitsu 548352 8162.0 8773.6 9898.56

June 2011, K-Computer


143

• High-end, multithreaded, scalar processor (SPARC64 VIIIfx)• Many special instructions• 16GFLOPS per core (Rpeak/#cores)

• 6-dimensional torus

• Homogeneous, no accelerator!

Yuichiro Ajima, Tomohiro Inoue, Shinya Hiramoto, Yuzo Takagi, Toshiyuki Shimizu: The Tofu Interconnect. IEEE Micro 32(1): 21-31 (2012)Yuichiro Ajima, Shinji Sumimoto, Toshiyuki Shimizu: Tofu: A 6D Mesh/Torus Interconnect for Exascale Computers. IEEE Computer 42(11): 36-40 (2009)


144

June 2020, Fugaku, successor to (post-K) K-Computer

System Cores Rmax(TFLOPS

Rpeak(TFLOPS)

Power(kW)

Fugaku: A64FX 48C 2.2GHz, Tofu interconnect D, Fujitsu RIKEN Center for Computational ScienceJapan

7,299,072 415,530.0 513,854.7 28,335

Factor 8 increase in #cores over K

Only factor 3increase over K


145

Examples: Other accelerator-based systems


146

November 2013, TianHe-2


Rpeak(TF)

Power(KW)

TH-IVB-FEP Cluster, Intel Xeon E5-2692 12C 2.200GHz, TH Express-2, Intel Xeon Phi 31S1P

NUDT 3,120,000 33,862.7 54,902.4 17,808.00


147

June 2019: Rank #1: NVidia GPU


Rpeak(TFLOPS)

Power (kW)

Summit: IBM Power System AC922, IBM POWER9 22C 3.07GHz, NVIDIA Volta GV100, Dual-rail MellanoxEDR Infiniband , IBM DOE/SC/Oak Ridge National LaboratoryUnited States

2,414,592 148,600.0 200,794.9 10,096


148


Rpeak(TF)

Power(KW)

Cray XK7,Opteron 6274 16C 2.200GHz, Cray Gemini interconnect, NVIDIA K20x

Cray 560640 17590.0 27112.5 8209.00

November 2012, Cray Titan: NVidia GPU


149

System Vendor Cores Rmax RpeakPower (KW)

PowerEdgeC8220, Xeon E5-2680 8C 2.700GHz, InfinibandFDR, Intel Xeon Phi

Dell 462462 5,168.1 8,520.1 4,510.00

November 2012, Stampede (#7): Intel Xeon Phi


150

System Vendor Cores Rmax Rpeak Power

NUDT TH MPP, X5670 2.93Ghz 6C, NVIDIA GPU, FT-1000 8C

NUDT 186368 2566.0 4701.0 4040.00

November 2010, Tianhe: NVidia GPU


151

Hybrid architectures with accelerator support (GPU, MIC)

• High-performance and low energy consumption through accelerators

• GPU accelerator: Highly parallel “throughput architecture”, lightweight cores, complex memory hierarchy, banked memory

• MIC accelerator: Lightweight x86 cores, extended vectorization, ring-network on chip


152

Hybrid architectures with accelerator support (GPU, MIC)

Issues with accelerator: currently (2013) limited on-chip memory (MIC 8GByte), PCIex connection to main processor

Programming: Kernel offload, explicitly with OpenCL/CUDA

MIC: Some “reverse acceleration” projects, MPI between MIC cores


153

Main memory

Lk

L1

SIMD

Acc

Heavily accelerated system, one or more accelerators

Acc memory

Memory hierarchy

This will likely change

Although same ISA, heterogeneous programming model (offloading) may be needed

OpenMP, OpenACC, … (+MPI)

News late 2017: KNL… line discontinued by Intel


154

Accelerators for Exascale?

Energy consumption and cooling obstacles for reaching ExaFLOPS

Energy consumed in• Processor (heat, leak)• Memory system• Interconnect

“Solution”:Massive amount of simple, low-frequency processors; weak(er) interconnects; deep memory hierarchy


155

Run-of-the-mill


Megware Saxonid6100, Opteron 8C 2.2 GHz, InfinibandQDR

Megware 20776 152.9 182.8 430.00

VSC-2, June 2011, November 2012: #162

Similar to TU Wien, Parallel Computing group “jupiter”, our first, small cluster (NEC)


156

Run-of-the-mill


Oil blade server, Intel Xeon E5-2650v2 8C 2.6GHz, Intel TrueScaleInfiniband

ClusterVision

32,768 596.0 681.6 450.00

VSC-3 November 2014 #85; November 2015 #138; November 2016 #246; November 2017 #460

• Innovative oil cooling• Dual rail InfiniBand2020 nodes

(initial), 2x8=16 cores per node


157

Run-of-the-mill

VSC-4 summer 2019, Lenovo system; November 2019 #93;June 2020 #105


VSC-4 -ThinkSystemSD650, Xeon Platinum 8174 24C 3.1GHz, Intel Omni-Path

Lenovo 37,920 2,726.1 3,761.7

790 nodes, 2x24=48 cores per node


158

Memory in HPC systems (2015)

System #Cores Memory (GB)

Memory/Core (GB)

TianHe-2 3,120,000 1,024,000 0,33

Titan (Cray XK) 560,640 710,144 1,27

Sequoia (IBM BG/Q) 1,572,864 1,572,864 1

K (Fujitsu SPARC) 705,024 1,410,048 2

Stampede (Dell) 462,462 192,192 0,42

Roadrunner (IBM) 129,600 ?

Pleiades (SGI) 51,200 51,200 1

BlueGene/L (IBM) 131,072 32,768 0,25

Earth Simulator (SX9) 1,280 20,480 16

Earth Simulator (SX6) 5,120 ~10,000 1,95


159

Memory/core in HPC systems

• What is a core (GPU SIMD core)?

• Memory a scarce resource, not possible to keep state information for all cores

• Hybrid, shared memory programming models may help to keep shared structures once/node

• Algorithms must use memory efficiently: in-place, no O(n2) representations for O(n+m) sized graphs, …


160

Not easily found in Top500 list

Details on interconnect only indirectly available:

• Bandwidth/node, bandwidth/core• Bisection bandwidth• Number of communication ports/node

Fully connected, direct: high bisection, low diameter, contention free

(Fat)tree: logarithmic diameter, high bisection possible, contention possible

Torus/Mesh: low bisection, high diameter

#cores?


161

Recent history (2010) :

SiCortex (2003-09): distributed memory MIMD, Kautz-network

2010: Difficult to build (and survive commercially) “best”, real parallel computers with

• Custom processors• Custom memory• Custom communication

network


162

Summary: Exploiting (HPC) systems well

• Understand computer architecture: Processor capabilities (pipeline, branch predictor, speculation, vectorization, …) memory system (cache-hierarchy, memory network)

• Understand communication networks (structure: diameter, bisection width, practical realization: NIC, communication processors)

• Understand programming model, and realization: language, interface, framework; algorithms and data structures

Co-design: Application, programming model, architecture

An HPC system works best for the applications for which it is targeted; there are always tradeoffs


163

Summary: What is HPC?

Study of• Computer architecture, memory systems• Communication networks• Programming models and interfaces• (Parallel) Algorithms and data structures, for applications and

for interface support

• Assessment of computer systems: Performance models, rigorous benchmarking

For Scientific Computing (applications):• Tools, libraries, packages• (Parallel) Algorithms and data structures


164

Hennessy, Patterson: Computer Architecture – A Quantitative Approach (5 Ed.). Morgan Kaufmann, 2012

Bryant, O’Halloran: Computer Systems. Prentice-Hall, 2003

Georg Hager, Jan Treibig, Johannes Habich, Gerhard Wellein:Exploring performance and power properties of modern multi-core chips via simple machine models. Concurrency and Computation: Practice and Experience 28(2): 189-210 (2016)


Processor architecture models

Roofline model


165

Memory system

Cache system basics


• Cache-aware algorithm: Algorithm that uses memory (cache) hierarchy efficiently, under knowledge of the number of levels, cache and cache line sizes

• Cache-oblivious algorithm: Algorithm that uses memory hierarchy efficiently, without explicitly knowing cache system parameters (cache and line sizes)

• Cache-replacement strategies


166

Matteo Frigo, Charles E. Leiserson, Harald Prokop, SridharRamachandran: Cache-Oblivious Algorithms. ACM Trans. Algorithms 8(1): 4 (2012), results dating back to FOCS 1999

• Cache-aware algorithm: Algorithm that uses memory (cache) hierarchy efficiently, under knowledge of the number of levels, cache and cache line sizes

• Cache-oblivious algorithm: Algorithm that uses memory hierarchy efficiently, without explicitly knowing cache system parameters (cache and line sizes)

• Cache-replacement strategies


167

Memory system: Multi-core memory systems (NUMA)


Memory efficient algorithms: External memory model, in-place algorithms, …


168

Communication networks

• Network topologies• Routing• Modeling Some in MPI part of lecture, by need

Communication library

Efficient communication algorithms for given network assumptions inside MPI

In MPI part of lecture


169

Completely different case-study: Context allocation in MPI

Process i: MPI_Send(&x,c,MPI_INT,j,TAG, comm);

Process j: MPI_Recv(&y,c,MPI_INT,j,TAG,comm,&status);

Process j receives messages with TAG on comm in order

MPI_Send(…,j,TAG,other);no match: no communication if comm!=other

Implementation of point-to-point communication:Message envelope contains communication context, unique to comm, to distinguish messages on different communicators


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Tradeoff: number of bits for communication context vs. number of communication contexts.Sometimes: 12 bits, 14 bits, 16 bits… (4K to 64K possible communicators)

Implementation challenges: Small envelope

Recall:• Communicators in MPI essential for safe parallel libraries,

tags not sufficient (library routines written by different people might use same tags)

• Communicators in MPI essential for algorithms that require collective communication on subsets of processes


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MPI_Comm: MPI_COMM_WORLD

i j

MPI_Comm: local structure representing distributed communicator object

MPI_Recv(…,comm,&status);MPI_Send(…,comm);

MPI_COMM_WORLD: Default communicator, all processes

MPI_Comm_create(), MPI_Comm_split(), MPI_Dist_graph_create(), …: collective operations to create new communicators out of old ones


172

MPI_Comm_create(), MPI_Comm_split(), MPI_Dist_graph_create(), …: collective operations to create new communicators out of old ones

1. Determine which other processes will belong to new communicator

2. Allocate context id: maintain global bitmap of used id’s

Algorithm scheme, process i:

Standard implementation:

Use 4K to 64K bit vector bitmap to keep track of free communication contexts. If bitmap[i]==0, then i is a free communication context

unsigned long bitmap[words];


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MPI_Comm: MPI_COMM_WORLD

MPI_Comm MPI_Comm

MPI_Comm

MPI_Comm

MPI_Comm MPI_CommMPI_Comm

Problem: Ensure that all processes in new communicator have same communication context by using same bitmap


174

unsigned long bitmap[words], newmap[words];

MPI_Allreduce(bitmap,newmap,words,MPI_LONG,MPI_BOR,

comm);

Important fact ( will see later in lecture): For any reasonable network N, it holds that

Time(MPI_Allreduce(m)) = O(max(diam(N),log p)+m)

Step 2.1:Since all communicator creating operations are collective, use collective MPI_Allreduce() to generate global bitmap representing all used communication contexts

Bitwise OR


175

Typical MPI_Allreduce performance (function of problem size, fixed number of processes, p=26*16)

Time is constant for m≤K, for some small K

Use K as size of bitmap?

“jupiter” IB cluster at TU Wien“Minimum recorded time, no error bars”


176

for (i=0; i<words; i++) if (newmap[i]!=0xF…FL) break;

unsigned long x = newmap[i];

for (z=0; z<8*sizeof(x); z++)

if ((x&0x1)==0x0) break; else x>>=1;

O(words) operations

O(wordlength), dominates if words<wordlength

Step 2.2:Find first word with 0-bit

Step 2.3:Find rightmost (first) 0-bit in word

64 words of 64-bits = 4K communication contexts

Can we do better?


177

Find “first 0 from right”, faster methods

Here: 16-bit word

Method 1: Architecture has lsb(x) instruction (“least significant bit of x”, O(1) operations

z = lsb(~x);

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0

General challenge:Useful bit operations in O(1) or O(log w) operations for words of length w (note O(log w) = O(log log n), pretty fast)


178

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

Method 2: Architecture has “popcount” instruction pop(x) (population count, number of 1’s in x), O(1) operations

x = x&~(x+1);

z = pop(x);0 0 1 0 1 1 0 1 1 0 0 0 0 0 0 0

1 1 0 1 0 0 1 0 0 1 1 1 1 1 1 1

0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1

z = pop(x) = 7;

Here: 16-bit word


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z = 0;

if ((x&0x0000FFFF) == 0x0000FFFF) { z = 16; x >>= 16; }

if ((x&0x000000FF) == 0x000000FF) { z += 8; x >>= 8; }

if ((x&0x0000000F) == 0x0000000F) { z += 4; x >>= 4; }

if ((x&0x00000003) == 0x00000003) { z += 2; x >>= 2; }

z += (x&0x1);

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

Method 3: Direct; binary search, O(log w) operations, O(1) for fixed w

Here: 16-bit word

for 32-bit word

Early mpich (mid-90ties)


180

z = 0;

if ((x&0x0000FFFF) == 0x0000FFFF) { z = 16; x >>= 16; }

if ((x&0x000000FF) == 0x000000FF) { z += 8; x >>= 8; }

if ((x&0x0000000F) == 0x0000000F) { z += 4; x >>= 4; }

if ((x&0x00000003) == 0x00000003) { z += 2; x >>= 2; }

z += (x&0x1);

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

0 0 0 0 0 0 1 0 1 1 0 1 0 1 1 1

z = 0

z = 4

0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 1 z = 6 z = 7

for 32-bit word


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x = ~x; // invert bits

if (x==0) z = 32; else {

z = 0;

if ((x&0x0000FFFF) == 0x0) { z = 16; x >>= 16; }

if ((x&0x000000FF) == 0x0) { z += 8; x >>= 8; }

if ((x&0x0000000F) == 0x0) { z += 4; x >>= 4; }

if ((x&0x00000003) == 0x0) { z += 2; x >>= 2; }

z -= (x&0x1);

}

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

Method 3a: direct; binary search to find lsb

Here: 16-bit word

Might be better because masks needed only once

for 32-bit word


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x = x&~(x+1);

x = (x&0x55555555) + ((x>>1)&0x55555555);

x = (x&0x33333333) + ((x>>2)&0x33333333);

x = (x&0x0F0F0F0F) + ((x>>4)&0x0F0F0F0F);

x = (x&0x00FF00FF) + ((x>>8)&0x00FF00FF);

x = (x&0x0000FFFF) + ((x>>16)&0x0000FFFF);

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

Method 4: implement popcount

Exploits word parallelism. And is branchfree

Here: 16-bit word

for 32-bit word

popcount


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0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

Idea:

pop

0 1 1 1 1 1 1 10 0 1 0 1 1 0 1=

pop + pop

…and recurse


184

x = (x&0x55555555) + ((x>>1)&0x55555555);

x = (x&0x33333333) + ((x>>2)&0x33333333);

x = (x&0x0F0F0F0F) + ((x>>4)&0x0F0F0F0F);

x = (x&0x00FF00FF) + ((x>>8)&0x00FF00FF);

x = (x&0x0000FFFF) + ((x>>16)&0x0000FFFF);

Observation: pop(x) for k-bit word x at most k; so pop(x) fits in word x

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1 pop(10) = ((10>>1)&0x1)+(10&0x1) = 1

pop(11) =((11>>1)&0x1)+(11&0x1) = 2

for 32-bit word


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x = ~(~x&(x+1));

x = x-((x>>1)&0x55555555);

x = (x&0x33333333) + ((x>>2)&0x33333333);

x = (x+(x>>4)) & 0x0F0F0F0F;

x += (x>>8);

x += (x>>16);

z = x&0x0000003F;

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

Method 4a: implement popcount, improved

Here: 16-bit word

for 32-bit word

Exercise: Figure out what this does and why it works


186

Preprocessing for FFT: Bit reversal

Bit-reversal permutation often needed, e.g., efficient Fast Fourier Transform (FFT):B[r(i)] = A[i], where r(i) is the number arising from reversing the bits in the binary representation of i

Examples:

r(111000) = 000111r(10111) = 11101r(101101) = 101101

General: r(ab) = r(b)r(a)


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x = ((x&0x55555555)<<1) | ((x&0xAAAAAAAA)>>1);

x = ((x&0x33333333)<<2) | ((x&0xCCCCCCCC)>>2);

x = ((x&0x0F0F0F0F)<<4) | ((x&0xF0F0F0F0)>>4);

x = ((x&0x00FF00FF)<<8) | ((x&0xFF00FF00)>>8);

x = ((x&0x0000FFFF)<<16) | ((x&0xFFFF0000)>>16);

for 32-bit word

r(a) for 32-bit word: Recursively, in parallel; branch-free:

0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1

0 0 0 1 1 1 1 0 0 1 1 1 1 1 1 1

1 0 1 1 0 1 0 0 1 1 1 1 1 1 1 0

0 1 0 0 1 0 1 1 1 1 1 0 1 1 1 1

1 1 1 1 1 1 1 0 1 0 1 1 0 1 0 0

Note: the assignments can be done in any order


189

Finding largest/smallest power of 2

int ispoweroftwo(long x) {

return (((x-1)&x)==0);

}

Detect whether x is a power-of-two; find smallest y=2k with y≥x

Find smallest: lsb(r(x)).

x = x-1;

x = x | (x>>1);

x = x | (x>>2);

x = x | (x>>4);

x = x | (x>>8);

x = x | (x>>16); x++;

for 32-bit word

Better, direct method:

Exercise: Find largest k s.t.2k≤x (aka msb(x), see lsb(x))


191

“If you write optimizing compilers or high-performance code, you must read this book”,Guy L. Steele, Foreword to “Hackers Delight”, 2002

D. E. Knuth: “The Art of Computer Programming”, Vol . 4A, Section 7.1.3, Addison-Wesley, 2011D. E. Knuth: “MMIXWare: A RISC Computer for the Third Millenium”, LNCS 1750, 1999 (new edition 2014)

See alsohttp://graphics.stanford.edu/~seander/bithacks.html

Are such things relevant?

Roofline model: Bitwise techniques/word parallelism can increase OI (operational intensity)

http://graphics.stanford.edu/~seander/bithacks.html


192

Michael Pippig: PFFT: An Extension of FFTW to Massively Parallel Architectures. SIAM J. Scientific Computing 35(3) (2013)

Matteo Frigo, Steven G. Johnson: FFTW: an adaptive software architecture for the FFT. ICASSP 1998: 1381-1384Matteo Frigo: A Fast Fourier Transform Compiler. PLDI 1999: 169-180

Kang Su Gatlin, Larry Carter: Memory Hierarchy Considerations for Fast Transpose and Bit-Reversals. HPCA 1999:33-42

Larry Carter, Kang Su Gatlin: Towards an Optimal Bit-Reversal Permutation Program. FOCS 1998:544-555

Interesting further reading


193

Not the end of the story

MPI_Comm_split(oldcomm,color,key,&newcomm);

All processes (in oldcomm) that supply the same color (or MPI_UNDEFINED) will belong to same newcomm, ordered by key, tie-break by rank in oldcomm

Problem: rank i supplying color c needs to determine which other processes also supplied color c

Trivial solution: all processes gather all colors and keys (MPI_Allgather), sort lexicographically to determine rank in newcomm

Early mpich (mid-90ties): bubblesort!!!


194

Siebert, Wolf: „Parallel Sorting with Minimal Data“. EuroMPI2011, LNCS 6960: 170-177A. Moody, D. H. Ahn, B. R. de Supinski: Exascale Algorithms forGeneralized MPI_Comm_split. EuroMPI 2011, LNCS 6960: 9-18

Better solutions:

• Different, O(p log p) sort• Modified allgather algorithm to merge on the fly• …

high performance computing - tu wien

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