The Convergence of HPC and Deep Learning

1. THE CONVERGENCE OF HPC AND DEEP LEARNING Axel Koehler, Principal Solution Architect HPC$Advisory$Council$2018,$April$10th$$2018,$Lugano

2. 3 FACTORS DRIVING CHANGES IN HPC End$of$Dennard$Scaling$places$a$cap$on$ single$threaded$performance Increasing$application$performance$will$ require$fine$grain$parallel$code$with$ significant$computational$intensity AI$and$Data$Science$emerging$as$ important$new$components$of$scientific$ discovery Dramatic$improvements$in$accuracy,$ completeness$and$response$time$yield$ increased$insight$from$huge$volumes$of$ data Cloud$based$usage$models,$in?situ$ execution$and$visualization$emerging$as$ new$workflows$critical$to$the$science$ process$and$productivity Tight$coupling$of$interactive$simulation,$ visualization,$data$analysis/AI Service$Oriented$Architectures$(SOA)

3. 4 Multiple Experiments Coming or Upgrading In the Next 10 Years 15$TB/Day 10X$Increase$in$ Data$Volume Exabyte/Day 30X$Increase$ in$power Personal$Genomics Cryo$EM

4. 5 TESLA PLATFORM ONE Data Center Platform for Accelerating HPC and AI TESLA GPU & SYSTEMS NVIDIA SDK INDUSTRY FRAMEWORKS & TOOLS APPLICATIONS FRAMEWORKS INTERNET SERVICES DEEP LEARNING SDK CLOUDTESLA GPU NVIDIA DGX / DGX-Station NVIDIA HGX-1 ENTERPRISE APPLICATIONS Manufacturing Automotive Healthcare Finance Retail Defense … DeepStream SDK NCCL cuBLAS cuSPARSE cuDNN TensorRT ECOSYSTEM TOOLS HPC +450 Applications COMPUTEWORKS CUDA C/C++ FORTRAN SYSTEM OEM CLOUDNVIDIA HGX-1

5. 6 GPUS FOR HPC AND DEEP LEARNING NVIDIA Tesla V100 5120 energy efficient cores + TensorCores 7.8 TF Double Precision (fp64), 15.6 TF Single Precision (fp32) , 125 Tensor TFLOP/s mixed-precision Huge requirement on communication and memory bandwidth NVLink 6 links per GPU a 50 GB/s bi- directional for maximum scalability between GPU’s CoWoS with HBM2 900 GB/s Memory Bandwidth Unifying Compute & Memory in Single Package Huge$requirement$on$compute$power$(FLOPS) NCCL High-performance multi-GPU and multi-node collective communication primitives optimized for NVIDIA GPUs GPU Direct / GPU Direct RDMA Direct communication between GPUs by eliminating the CPU from the critical path

6. 7 TENSOR CORE Mixed Precision Matrix Math - 4x4 matrices New CUDA TensorOp instructions & data formats 4x4x4 matrix processing array D[FP32] = A[FP16] * B[FP16] + C[FP32] Using Tensor cores via • Volta optimized frameworks and libraries (cuDNN, CuBLAS, TensorRT, ..) • CUDA C++ Warp Level Matrix Operations

7. 8 0 1 2 3 4 5 6 7 8 9 10 512 1024 2048 4096 Relative2Performance Matrix2Size2(M=N=K) cuBLAS Mixed2Precision2(FP162Input,2FP322compute) P1002(CUDA28) V1002Tensor2Cores22(CUDA29) 0 0,2 0,4 0,6 0,8 1 1,2 1,4 1,6 1,8 2 512 1024 2048 4096 Relative2Performance Matrix2Size2(M=N=K) cuBLAS Single2Precision2(FP32) P1002(CUDA28) V1002(CUDA29) cuBLAS GEMMS FOR DEEP LEARNING V100 Tensor Cores + CUDA 9: over 9x Faster Matrix-Matrix Multiply 9.3x1.8x Note: pre-production Tesla V100 and pre-release CUDA 9. CUDA 8 GA release.

8. 9 COMMUNICATION BETWEEN GPUS Large scale models: • Some models are too big for a single GPU and need to be spread across multiple devices and multiple nodes • The size of the model will further increase in the future Data$parallel$training • Each$worker$trains$the$same$layers$on$a$different$data$batch • NVLINK$allows$the$separation$of$data$loading$and$gradient$ averaging Model$parallel$training • All$workers$train$on$same$batchX$workers$communicate$ as$frequently$as$network$allows • NVLINK$allows$the$separation$of$data$loading$and$ exchanges$for$activation http://mxnet.io/how_to/multi_devices.html

9. 10 NVLINK AND MULTI-GPU SCALING PCIe Switch CPU PCIe Switch CPU 0 32 1 5 67 4 • Data loading over PCIe (red) • Gradient averaging over NVLink (blue) • No sharing of communication resources: No congestion PCIe Switch CPU PCIe Switch CPU 0 32 1 5 67 4 QPI Link • Data loading over PCIe • Gradient averaging over PCIe and QPI • Data loading and gradient averaging share communication resources: Congestion PCIe based system NVLINK$based system For Data Parallel Training

10. 11 NVLINK AND CNTK MULTI-GPU SCALING

11. 12 NVIDIA Collective Communications Library (NCCL) 2 Multi-GPU and multi-node collective communication primitives developer.nvidia.com/nccl High-performance multi-GPU and multi-node collective communication primitives optimized for NVIDIA GPUs Fast routines for multi-GPU multi-node acceleration that maximizes inter-GPU bandwidth utilization Easy to integrate and MPI compatible. Uses automatic topology detection to scale HPC and deep learning applications over PCIe and NVink Accelerates leading deep learning frameworks such as Caffe2, Microsoft Cognitive Toolkit, MXNet, PyTorch and more Multi-Node: InfiniBand verbs IP Sockets Multi-GPU: NVLink PCIe Automatic Topology Detection

12. 13 NVIDIA DGX-2 1 2$ 3 5 4 6 Two Intel Xeon Platinum CPUs 7$$1.5 TB System Memory 13 30 TB NVME SSDs Internal Storage NVIDIA Tesla V100 32GB Two GPU Boards 8 V100 32GB GPUs per board 6 NVSwitches per board 512GB Total HBM2 Memory interconnected by Plane Card Twelve NVSwitches 2.4 TB/sec bi-section bandwidth Eight EDR Infiniband/100 GigE 1600 Gb/sec Total Bi-directional Bandwidth PCIe Switch Complex 8 9 9Dual 10/25 Gb/sec Ethernet

13. 1414 • 18 NVLINK ports • @50 GB/s per port bi-directional • 900 GB/s total bi-directional • Fully connected crossbar • X4 PCIe Gen2 Management port • GPIO • I2C • 2 billion transistors NVSWITCH

14. 15 FULL NON-BLOCKING BANDWIDTH

15. 16 UNIFIED MEMORY PROVIDES • Single memory view shared by all GPUs • Automatic migration of data between GPUs • User control of data locality NVLINK PROVIDES • All-to-all high-bandwidth peer mapping between GPUs • Full inter-GPU memory interconnect (incl. Atomics) NVSWITCH

16. VOLTA MULTI-PROCESS SERVICE Hardware Accelerated Work Submission Hardware Isolation VOLTA MULTI-PROCESS SERVICE Volta GV100 A B C CUDA MULTI-PROCESS SERVICE CONTROL CPU Processes GPU Execution Volta MPS Enhancements: • MPS clients submit work directly to the work queues within the GPU • Reduced launch latency • Improved launch throughput • Improved isolation amongst MPS clients • Address isolation with independent address spaces • Improved quality of service (QoS) • 3x more clients than Pascal A B C

17. Efficient inference deployment without batching system Single Volta Client, No Batching, No MPS VOLTA MPS FOR INFERENCEResnet50Images/sec,7mslatency Multiple Volta Clients, No Batching, Using MPS Volta with Batching System 7x faster 60% of perf with batching V100 measured on pre-production hardware.

18. 20 DEEP LEARNING IS A HPC WORKLOAD HPC expertise is important for success • HPC and Deep Learning require a huge amount of compute power (FLOPS) • Mainly Double Precision arithmetic for HPC • Single, half or 8b precision for Deep Learning Training/Inference • HPC and Deep Learning are using inherently parallel algorithms • HPC needs less memory per FLOPS than Deep Learning • HPC is more demanding on network bandwidth than Deep Learning • Data scientists like GPU dense systems (as much GPUs as possible per node) • HPC has more demand for scalability than Deep Learning up to now • Distributed training frameworks like Horovod (Uber) are meanwhile available

19. 21 • Current DIY deep learning environments are complex and time consuming to build, test and maintain • Same issues affect HPC and other accelerated applications • Need multiple jobs from different users to co-exist on the same servers NVIDIA Libraries NVIDIA Docker NVIDIA Driver NVIDIA GPU Open Source Frameworks SOFTWARE CHALLENGES

20. 22 NVIDIA GPU CLOUD REGISTRY Deep Learning All major frameworks with multi-GPU optimizations Uses NCCL for NVLINK data exchange Multi-threaded I/O to feed the GPUs Caffe, Caffe2,CNTK, mxnet, PyTorch, Tensorflow, Theano, Torch HPC NAMD, Gromacs, LAMMPS, GAMESS, Relion, Chroma, MILC HPC Visualization Paraview with Optix, Index and Holodeck with OpenGL visualization base on NVIDIA Docker 2.0, IndeX, VMD Single NGC Account For use on GPUs everywhere - https://ngc.nvidia.com Common Software stack across NVIDIA GPUs NVIDIA GPU Cloud containerizes GPU- optimized frameworks, applications, runtimes, libraries, and operating system, available at no charge

21. 23 NVIDIA SATURN V AI supercomputer with 660 x DGX-1V 40$PF$Peak$FP64$Performance$,$ 660$PF$DL$Tensor$Performance • Primarily research focused • Used internally for Deep Learning applied research • Many using testing algorithms, networks, new approaches • Embedded, robotic, auto, hyperscale, HPC • Partner with university research and industry collaborations • Study convergence of data science and HPC • All jobs are containerized

22. 24 DEEP LEARNING DATA CENTER Reference Architecture http://www.nvidia.com/object/dgx1?multi?node?scaling?whitepaper.html

23. 25 COMBINING THE STRENGTHS OF HPC AND AI • Implement$inference$models$with$real$time$ interactivity$ • Train$inference$models$to$improve$accuracy$and$ comprehend$more$of$the$physical$parameter$space • Analyze$data$sets$that$are$simply$intractable$with$ classic$statistical$models • Control$and$manage$complex$scientific$experiments HPC • Proven$algorithms$based$on$first$principles$theory • Proven$statistical$models$for$accurate$results$in$ multiple$science$domains • Develop$training$data$sets$using$first$principal$ models • Incorporate$AI$models$in$semi?empirical$style$ applications$to$improve$throughput • Validate$new$findings$from$AI • New$methods$to$improve$predictive$accuracy,$insight$ into$new$phenomena$and$response$time AI

24. 26 MULTI-MESSENGER ASTROPHYSICS Despite2the2latest2development2in2computational2 power,2there2is2still2a2large2gap2in2linking2 relativistic2theoretical2models2to2observations.2 Max$Plank$Institute Background The aLIGO (Advanced Laser Interferometer Gravitational Wave Observatory) experiment successfully discovered signals proving Einstein’s theory of General Relativity and the existence of cosmic Gravitational Waves. While this discovery was by itself extraordinary it is seen to be highly desirable to combine multiple observational data sources to obtain a richer understanding of the phenomena. Challenge The initial a LIGO discoveries were successfully completed using classic data analytics. The processing pipeline used hundreds of CPU’s where the bulk of the detection processing was done offline. Here the latency is far outside the range needed to activate resources, such as the Large Synaptic Space survey Telescope (LSST) which observe phenomena in the electromagnetic spectrum in time to “see” what aLIGO can “hear”. Solution A DNN was developed and trained using a data set derived from the CACTUS simulation using the Einstein Toolkit. The DNN was shown to produce better accuracy with latencies 1000x better than the original CPU based waveform detection. Impact Faster and more accurate detection of gravitational waves with the potential to steer other observational data sources.

25. 27 Background Developing a new drug costs $2.5B and takes 10-15 years. Quantum chemistry (QC) simulations are important to accurately screen millions of potential drugs to a few most promising drug candidates. Challenge QC simulation is computationally expensive so researchers use approximations, compromising on accuracy. To screen 10M drug candidates, it takes 5 years to compute on CPUs. Solution Researchers at the University of Florida and the University of North Carolina leveraged GPU deep learning to develop ANAKIN-ME, to reproduce molecular energy surfaces with super speed (microseconds versus several minutes), extremely high (DFT) accuracy, and at 1-10/millionths of the cost of current computational methods. Impact Faster, more accurate screening at far lower cost AI Quantum Breakthrough

26. 28 SUMMARY • Same GPU technology enabling powerful science is also enabling the revolution in deep learning • Deep learning is enabling many usages in science (eg. Image recognition, classification, ..) • Applications can use DL to train neural networks with already simulated data and DL network can predict about the output • GPU is the right technology for HPC and DL

27. Axel Koehler (akoehler@nvidia.com) THE CONVERGENCE OF HPC AND DEEP LEARNING

The Convergence of HPC and Deep Learning

The Convergence of HPC and Deep Learning

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