HPC Application Performance on Dell PowerEdge R7525 Servers with NVIDIA A100 GPGPUs
Tue, 24 Nov 2020 17:49:03 -0000
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Overview
The Dell PowerEdge R7525 server powered with 2nd Gen AMD EPYC processors was released as part of the Dell server portfolio. It is a 2U form factor rack-mountable server that is designed for HPC workloads. Dell Technologies recently added support for NVIDIA A100 GPGPUs to the PowerEdge R7525 server, which supports up to three PCIe-based dual-width NVIDIA GPGPUs. This blog describes the single-node performance of selected HPC applications with both one- and two-NVIDIA A100 PCIe GPGPUs.
The NVIDIA Ampere A100 accelerator is one of the most advanced accelerators available in the market, supporting two form factors:
- PCIe version
- Mezzanine SXM4 version
The PowerEdge R7525 server supports only the PCIe version of the NVIDIA A100 accelerator.
The following table compares the NVIDIA A100 GPGPU with the NVIDIA V100S GPGPU:
NVIDIA A100 GPGPU | NVIDIA V100S GPGPU | |||
Form factor | SXM4 | PCIe Gen4 | SXM2 | PCIe Gen3 |
GPU architecture | Ampere | Volta | ||
Memory size | 40 GB | 40 GB | 32 GB | 32 GB |
CUDA cores | 6912 | 5120 | ||
Base clock | 1095 MHz | 765 MHz | 1290 MHz | 1245 MHz |
Boost clock | 1410 MHz | 1530 MHz | 1597 MHz | |
Memory clock | 1215 MHz | 877 MHz | 1107 MHz | |
MIG support | Yes | No | ||
Peak memory bandwidth | Up to 1555 GB/s | Up to 900 GB/s | Up to 1134 GB/s | |
Total board power | 400 W | 250 W | 300 W | 250 W |
The NVIDIA A100 GPGPU brings innovations and features for HPC applications such as the following:
- Multi-Instance GPU (MIG)—The NVIDIA A100 GPGPU can be converted into as many as seven GPU instances, which are fully isolated at the hardware level, each using their own high-bandwidth memory and cores.
- HBM2—The NVIDIA A100 GPGPU comes with 40 GB of high-bandwidth memory (HBM2) and delivers bandwidth up to 1555 GB/s. Memory bandwidth with the NVIDIA A100 GPGPU is 1.7 times higher than with the previous generation of GPUs.
Server configuration
The following table shows the PowerEdge R7525 server configuration that we used for this blog:
Server | PowerEdge R7525 |
Processor | 2nd Gen AMD EPYC 7502, 32C, 2.5Ghz |
Memory | 512 GB (16 x 32 GB @3200MT/s) |
GPGPUs | Either of the following: 2 x NVIDIA A100 PCIe 40 GB 2 x NVIDIA V100S PCIe 32 GB |
Logical processors | Disabled |
Operating system | CentOS Linux release 8.1 (4.18.0-147.el8.x86_64) |
CUDA | 11.0 (Driver version - 450.51.05) |
gcc | 9.2.0 |
MPI | OpenMPI-3.0 |
HPL | hpl_cuda_11.0_ompi-4.0_ampere_volta_8-7-20 |
HPCG | xhpcg-3.1_cuda_11_ompi-3.1 |
GROMACS | v2020.4 |
Benchmark results
The following sections provide our benchmarks results with observations.
High-Performance Linpack benchmark
High Performance Linpack (HPL) is a standard HPC system benchmark. This benchmark measures the compute power of the entire cluster or server. For this study, we used HPL compiled with NVIDIA libraries.
The following figure shows the HPL performance comparison for the PowerEdge R7525 server with either NVIDIA A100 or NVIDIA V100S GPGPUs:
Figure1: HPL performance on the PowerEdge R7525 server with the NVIDIA A100 GPGPU compared to the NVIDIA V100SGPGPU
The problem size (N) is larger for the NVIDIA A100 GPGPU due to the larger capacity of GPU memory. We adjusted the block size (NB) used with the:
- NVIDIA A100 GPGPU to 288
- NVIDIA V100S GPGPU to 384
The AMD EPYC processors provide options for multiple NUMA combinations. We found that the best value of 4 NUMA per socket (NPS=4), with NUMA per socket 1 and 2 lower the performance by 10 percent and 5 percent respectively. In a single PowerEdge R7525 node, the NVIDIA A100 GPGPU delivers 12 TF per card using this configuration without an NVLINK bridge. The PowerEdge R7525 server with two NVIDIA A100 GPGPUs delivers 2.3 times higher HPL performance compared to the NVIDIA V100S GPGPU configuration. This performance improvement is credited to the new double-precision Tensor Cores that accelerate FP64 math.
The following figure shows power consumption of the server while running HPL on the NVIDIA A100 GPGPU in a time series. Power consumption was measured with an iDRAC. The server reached 1038 Watts at peak due to a higher GFLOPS number.
Figure2: Power consumption while running HPL
High Performance Conjugate Gradient benchmark
The High Performance Conjugate Gradient (HPCG) benchmark is based on a conjugate gradient solver, in which the preconditioner is a three-level hierarchical multigrid method using the Gauss-Seidel method.
As shown in the following figure, HPCG performs at a rate 70 percent higher with the NVIDIA A100 GPGPU due to higher memory bandwidth:
Figure 3: HPCG performance comparison
Due to different memory size, the problem size used to obtain the best performance on the NVIDIA A100 GPGPU was 512 x 512 x 288 and on the NVIDIA V100S GPGPU was 256 x 256 x 256. For this blog, we used NUMA per socket (NPS)=4 and we obtained results without an NVLINK bridge. These results show that applications such as HPCG, which fits into GPU memory, can take full advantage of GPU memory and benefit from the higher memory bandwidth of the NVIDIA A100 GPGPU.
GROMACS
In addition to these two basic HPC benchmarks (HPL and HPCG), we also tested GROMACS, an HPC application. We compiled GROMACS 2020.4 with the CUDA compilers and OPENMPI, as shown in the following table:
Figure4: GROMACS performance with NVIDIA GPGPUs on the PowerEdge R7525 server
The GROMACS build included thread MPI (built in with the GROMACS package). All performance numbers were captured from the output “ns/day.” We evaluated multiple MPI ranks, separate PME ranks, and different nstlist values to achieve the best performance. In addition, we used settings with the best environment variables for GROMACS at runtime. Choosing the right combination of variables avoided expensive data transfer and led to significantly better performance for these datasets.
GROMACS performance was based on a comparative analysis between NVIDIA V100S and NVIDIA A100 GPGPUs. Excerpts from our single-node multi-GPU analysis for two datasets showed a performance improvement of approximately 30 percent with the NVIDIA A100 GPGPU. This result is due to improved memory bandwidth of the NVIDIA A100 GPGPU. (For information about how the GROMACS code design enables lower memory transfer overhead, see Developer Blog: Creating Faster Molecular Dynamics Simulations with GROMACS 2020.)
Conclusion
The Dell PowerEdge R7525 server equipped with NVIDIA A100 GPGPUs shows exceptional performance improvements over servers equipped with previous versions of NVIDIA GPGPUs for applications such as HPL, HPCG, and GROMACS. These performance improvements for memory-bound applications such as HPCG and GROMACS can take advantage of higher memory bandwidth available with NVIDIA A100 GPGPUs.
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HPC Application Performance on Dell PowerEdge R7525 Servers with the AMD Instinct™ MI210 GPU
Mon, 12 Sep 2022 12:11:52 -0000
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PowerEdge support and performance
The PowerEdge R7525 server can support three AMD Instinct™ MI210 GPUs; it is ideal for HPC Workloads. Furthermore, using the PowerEdge R7525 server to power AMD Instinct MI210 GPUs (built with the 2nd Gen AMD CDNA™ architecture) offers improvements on FP64 operations along with the robust capabilities of the AMD ROCm™ 5 open software ecosystem. Overall, the PowerEdge R7525 server with the AMD Instinct MI210 GPU delivers expectational double precision performance and leading total cost of ownership.
Figure 1: Front view of the PowerEdge R7525 server
We performed and observed multiple benchmarks with AMD Instinct MI210 GPUs populated in a PowerEdge R7525 server. This blog shows the performance of LINPACK and the OpenMM customizable molecular simulation libraries with the AMD Instinct MI210 GPU and compares the performance characteristics to the previous generation AMD Instinct MI100 GPU.
The following table provides the configuration details of the PowerEdge R7525 system under test (SUT):
Table 1. SUT hardware and software configurations
Component | Description |
Processor | AMD EPYC 7713 64-Core Processor |
Memory | 512 GB |
Local disk | 1.8T SSD |
Operating system | Ubuntu 20.04.3 LTS |
GPU | 3xMI210/MI100 |
Driver version | 5.13.20.22.10 |
ROCm version | ROCm-5.1.3 |
Processor Settings > Logical Processors | Disabled |
System profiles | Performance |
NUMA node per socket | 4 |
HPL | rochpl_rocm-5.1-60_ubuntu-20.04 |
OpenMM | 7.7.0_49 |
The following table contains the specifications of AMD Instinct MI210 and MI100 GPUs:
Table 2: AMD Instinct MI100 and MI210 PCIe GPU specifications
GPU architecture | AMD Instinct MI210 | AMD Instinct MI100 |
Peak Engine Clock (MHz) | 1700 | 1502 |
Stream processors | 6656 | 7680 |
Peak FP64 (TFlops) | 22.63 | 11.5 |
Peak FP64 Tensor DGEMM (TFlops) | 45.25 | 11.5 |
Peak FP32 (TFlops) | 22.63 | 23.1 |
Peak FP32 Tensor SGEMM (TFlops) | 45.25 | 46.1 |
Memory size (GB) | 64 | 32 |
Memory Type | HBM2e | HBM2 |
Peak Memory Bandwidth (GB/s) | 1638 | 1228 |
Memory ECC support | Yes | Yes |
TDP (Watt) | 300 | 300 |
High-Performance LINPACK (HPL)
HPL measures the floating-point computing power of a system by solving a uniformly random system of linear equations in double precision (FP64) arithmetic, as shown in the following figure. The HPL binary used to collect results was compiled with ROCm 5.1.3.
Figure 2: LINPACK performance with AMD Instinct MI100 and MI210 GPUs
The following figure shows the power consumption during a single HPL run:
Figure 3: LINPACK power consumption with AMD Instinct MI100 and MI210 GPUs
We observed a significant improvement in the AMD Instinct MI210 HPL performance over the AMD Instinct MI100 GPU. The numbers on a single GPU test of MI210 are 18.2 TFLOPS which is approximately 2.7 times higher than MI100 number (6.75 TFLOPS). This improvement is due to the AMD CDNA2 architecture on the AMD Instinct MI210 GPU, which has been optimized for FP64 matrix and vector workloads. Also, the MI210 GPU has larger memory, so the problem size (N) used here is large in comparison to the AMD Instinct MI100 GPU.
As shown in Figure 2, the AMD Instinct MI210 has shown almost linear scalability in the HPL values on single node multi-GPU runs. The AMD Instinct MI210 GPU reports better scalability compared to its last generation AMD Instinct MI100 GPUs. Both GPUs have the same TDP, with the AMD Instinct MI210 GPU delivering three times better performance. The performance per watt value of a PowerEdge R7525 system is three times more. Figure 3 shows the power consumption characteristics in one HPL run cycle.
OpenMM
OpenMM is a high-performance toolkit for molecular simulation. It can be used as a library or as an application. It includes extensive language bindings for Python, C, C++, and even Fortran. The code is open source and actively maintained on GitHub and licensed under MIT and LGPL.
Figure 4: OpenMM double-precision performance with AMD Instinct MI100 and MI210 GPUs
Figure 5: OpenMM single-precision performance with AMD Instinct MI100 and MI210 GPUs
Figure 6: OpenMM mixed-precision performance with AMD Instinct MI100 and MI210 GPUs
We tested OpenMM with seven datasets to validate double, single, and mixed precision. We observed exceptional double precision performance with OpenMM on the AMD Instinct MI210 GPU compared to the AMD Instinct MI100 GPU. This improvement is due to the AMD CDNA2 architecture on the AMD Instinct MI210 GPU, which has been optimized for FP64 matrix and vector workloads.
Conclusion
The AMD Instinct MI210 GPU shows an impressive performance improvement in FP64 workloads. These workloads benefit as AMD has doubled the width of their ALUs to a full 64-bits wide. This change allows the FP64 operations to now run at full speed in the new 2nd Gen AMD CDNA architecture. The applications and workloads that are designed to run on FP64 operations are expected to take full advantage of the hardware.
New Frontiers—Dell EMC PowerEdge R750xa Server with NVIDIA A100 GPUs
Tue, 01 Jun 2021 20:18:04 -0000
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Dell Technologies has released the new PowerEdge R750xa server, a GPU workload-based platform that is designed to support artificial intelligence, machine learning, and high-performance computing solutions. The dual socket/2U platform supports 3rd Gen Intel Xeon processors (code named Ice Lake). It supports up to 40 cores per processor, has eight memory channels per CPU, and up to 32 DDR4 DIMMs at 3200 MT/s DIMM speed. This server can accommodate up to four double-width PCIe GPUs that are located in the front left and the front right of the server.
Compared with the previous generation PowerEdge C4140 and PowerEdge R740 GPU platform options, the new PowerEdge R750xa server supports larger storage capacity, provides more flexible GPU offerings, and improves the thermal requirement
Figure 1 PowerEdge R750xa server
The NVIDIA A100 GPUs are built on the NVIDIA Ampere architecture to enable double precision workloads. This blog evaluates the new PowerEdge R750xa server and compares its performance with the previous generation PowerEdge C4140 server.
The following table shows the specifications for the NVIDIA GPU that is discussed in this blog and compares the performance improvement from the previous generation.
Table 1 NVIDIA GPU specifications
PCIe | Improvement | ||
GPU name | A100 | V100 |
|
GPU architecture | Ampere | Volta | - |
GPU memory | 40 GB | 32 GB | 60% |
GPU memory bandwidth | 1555 GB/s | 900 GB/s | 73% |
Peak FP64 | 9.7 TFLOPS | 7 TFLOPS | 39% |
Peak FP64 Tensor Core | 19.5 TFLOPS | N/A | - |
Peak FP32 | 19.5 TFLOPS | 14 TFLOPS | 39% |
Peak FP32 Tensor Core | 156 TFLOPS 312 TFLOPS* | N/A | - |
Peak Mixed Precision FP16 ops/ FP32 Accumulate | 312 TFLOPS 624 TFLOPS* | 125 TFLOPS | 5x |
GPU base clock | 765 MHz | 1230 MHz | - |
Peak INT8 | 624 TOPS 1,248 TOPS* | N/A | - |
GPU Boost clock | 1410 MHz | 1380 MHz | 2.1% |
NVLink speed | 600 GB/s | N/A | - |
Maximum power consumption | 250 W | 250 W | No change |
Test bed and applications
This blog quantifies the performance improvement of the GPUs with the new PowerEdge GPU platform.
Using a single node PowerEdge R750xa server in the Dell HPC & AI Innovation Lab, we derived all results presented in this blog from this test bed. This section describes the test bed and the applications that were evaluated as part of the study. The following table provides test environment details:
Table 2 Server configuration
Component | Test Bed 1 | Test Bed 2 |
Server | Dell PowerEdge R750xa
| Dell PowerEdge C4140 configuration M |
Processor | Intel Xeon 8380 | Intel Xeon 6248 |
Memory | 32 x 16 GB @ 3200MT/s | 16 x 16 GB @ 2933MT/s |
Operating system | Red Hat Enterprise Linux 8.3 | Red Hat Enterprise Linux 8.3 |
GPU | 4 x NVIDIA A100-PCIe-40 GB GPU | 4 x NVIDIA V100-PCIe-32 GB GPU |
The following table provides information about the applications and benchmarks used:
Table 3 Benchmark and application details
Application | Domain | Version | Benchmark dataset |
High-Performance Linpack | Floating point compute-intensive system benchmark | xhpl_cuda-11.0-dyn_mkl-static_ompi-4.0.4_gcc4.8.5_7-23-20 | Problem size is more than 95% of GPU memory |
HPCG | Sparse matrix calculations | xhpcg-3.1_cuda_11_ompi-3.1 | 512 * 512 * 288
|
GROMACS | Molecular dynamics application | 2020 | Ligno Cellulose Water 1536 Water 3072 |
LAMMPS | Molecular dynamics application | 29 October 2020 release | Lennard Jones |
LAMMPS
Large-Scale Atomic/Molecular Massively Parallel simulator (LAMMPS) is distributed by Sandia National Labs and the US Department of Energy. LAMMPS is open-source code that has different accelerated models for performance on CPUs and GPUs. For our test, we compiled the binary using the KOKKOS package, which runs efficiently on GPUs.
Figure 2 LAMMPS Performance on PowerEdge R750xa and PowerEdge C4140 servers
With the newer generation GPUs, this application improves 2.4 times compared to single GPU performance. The overall performance from a single server improved twice with the PowerEdge R750xa server and NVIDIA A100 GPUs.
GROMACS
GROMACS is a free and open-source parallel molecular dynamics package designed for simulations of biochemical molecules such as proteins, lipids, and nucleic acids. It is used by a wide variety of researchers, particularly for biomolecular and chemistry simulations. GROMACS supports all the usual algorithms expected from modern molecular dynamics implementation. It is open-source software with the latest versions available under the GNU Lesser General Public License (LGPL).
Figure 3 GROMACS performance on PowerEdge C4140 and r750xa servers
With the newer generation GPUs, this application improved approximately 1.5 times across the dataset compared to single GPU performance. The overall performance from a single server improved 1.5 times with a PowerEdge R750xa server and NVIDIA A100 GPUs.
High-Performance Linpack
High-Performance Linpack (HPL) needs no introduction in the HPC arena. It is a widely used standard benchmark tests in the industry.
Figure 4 HPL Performance on the PowerEdge R750xa server with A100 GPU and PowerEdge C4140 server with V100 GPU
Figure 5 Power use of the HPL running on NVIDIA GPUs
From Figure 4 and Figure 5, the following results were observed:
- Performance—For GPU count, the NVIDIA A100 GPU demonstrates twice the performance of the NVIDIA V100 GPU. Higher memory size, double precision FLOPS, and a newer architecture contribute to the improvement for the NVIDIA A100 GPU.
- Scalability—The PowerEdge R750xa server with four NVIDIA A100-PCIe-40 GB GPUs delivers 3.6 times higher HPL performance compared to one NVIDIA A100-PCIE-40 GB GPU. The NVIDIA A100 GPUs scale well inside the PowerEdge R750xa server for the HPL benchmark.
- Higher Rpeak—The HPL code on NVIDIA A100 GPUs uses the new double-precision Tensor cores. The theoretical peak for each GPU is 19.5 TFlops, as opposed to 9.7 TFlops.
- Power—Figure 5 shows power consumption of a complete HPL run with the PowerEdge R750xa server using four A100-PCIe GPUs. This result was measured with iDRAC commands, and the peak power consumption was observed as 2022 Watts. Based on our previous observations, we know that the PowerEdge C4140 server consumes approximately 1800 W of power.
HPCG
Figure 6 Scaling GPU performance data for HPCG Benchmark
As discussed in other blogs, high performance conjugate gradient (HPCG) is another standard benchmark to test data access patterns of sparse matrix calculations. From the graph, we see that the HPCG benchmark scales well with this benchmark resulting in 1.6 times performance improvement over the previous generation PowerEdge C4140 server with an NVIDIA V100 GPU.
The 72 percent improvement in memory bandwidth of the NVIDIA A100 GPU over the NVIDIA V100 GPU contributes to the performance improvement.
Conclusion
In this blog, we introduced the latest generation PowerEdge R750xa platform and discussed the performance improvement over the previous generation PowerEdge C4140 server. The PowerEdge R750xa server is a good option for customers looking for an Intel Xeon scalable CPU-based platform powered with NVIDIA GPUs.
With the newer generation PowerEdge R750xa server and NVIDIA A100 GPUs, the applications discussed in this blog show significant performance improvement.
Next steps
In future blogs, we plan to evaluate NVLINK bridge support, which is another important feature of the PowerEdge R750xa server and NVIDIA A100 GPUs.