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The NAMD benchmark stresses the scaling and performance aspects of the server and GPU configuration. Nanoscale Molecular Dynamics ( NAMD) is a parallel molecular dynamics system designed for simulation of large biomolecular systems. LAMMPS benchmark showing scaling of multiple AMD MI100 GPUs The NAMD Benchmark The following figure shows the KOKKOS implementation of LAMMPS scaled relatively linearly as AMD MI100 GPUs were added across four datasets: EAM, LJ, Tersoff, and ReaxFF/C.įigure 3. This benchmark measures the scalability and performance of large, parallel systems of multiple GPUs.
#FP32 VS FP64 SIMULATOR#
The Large-Scale Atom/Molecular Massively Parallel Simulator ( LAMMPS) runs threads in parallel using message-passing techniques.
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The following figure shows the observed numbers of DGEMM and SGEMM:įigure 2. Although GEMM benchmark results might not represent real-world application performance, it is still a good benchmark to demonstrate the performance capability of different GPUs. The results of these tests reflect the performance of an ideal application that only runs matrix multiplication in the form of the peak TFLOPS that the GPU can deliver. The rocblas-bench binary compiled from was used to collect DGEMM and SGEMM results. The GEMM benchmark is a simple, multithreaded dense matrix-to-matrix multiplication benchmark that can be used to test the performance of GEMM on a single GPU. The following table provides the configuration details of the PowerEdge R7525 system under test (SUT): We present results from the general matrix multiplication (GEMM) microbenchmarks, the LAMMPS benchmarks, and the NAMD benchmarks to showcase performance and scalability. This blog focuses on the performance characteristics of a single PowerEdge R7525 server with AMD MI100-32G GPUs.
#FP32 VS FP64 PORTABLE#
#FP32 VS FP64 SOFTWARE#
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The server supports SATA, SAS, and NVMe drives and up to three double-wide 300 W accelerators. The system is based on the 2nd Gen AMD EPYC processor (up to 64 cores), has up to 32 DIMMs, and has PCI Express (PCIe) 4.0-enabled expansion slots. The server is a two-socket, 2U rack-based server that is designed to run complex workloads using highly scalable memory, I/O capacity, and network options. The Dell EMC PowerEdge R7525 server supports the AMD MI100 GPU Accelerator.