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Dell NAMD Benchmarking Guide on a 4-Node Cluster with Intel Xeon Phi 7120P Coprocessors

Summary

Explore advanced computational capabilities for molecular dynamics research with this detailed analysis of NAMD benchmarks. The guide evaluates the performance scaling and power efficiency of massive biological simulations using Intel Xeon Phi co-processors across a four-node High Performance Computing (HPC) cluster. Ideal for computational scientists, bioinformaticians, and researchers requiring high-throughput, energy-efficient simulation platforms for large biomolecular systems. Discover significant performance gains up to 8.5 times through optimized hardware integration.

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NAMD benchmarking on 4 nodes cluster with Intel Xeon Phi 7120P Coprocessors

by Ashish Kumar Singh

This blog explores the application performance analysis of NAMD (NAnoscale Molecular Dynamics) for large data

sets on cluster of Power Edge R730 servers with Intel Xeon Phi 7120Ps. All the runs were carried out with Hyper

Threading (logical processors) disabled. IB verbs version of NAMD was used for all the runs.

Test Cluster Configuration:

The test cluster consisted of four Power Edge R730 servers with two Intel Xeon Phi 7120P co-processors each. Each

Power Edge R730 had two Intel Xeon E5-2695v3 @ 2.3GHz CPU and eight 16GB DIMMS of 2133MHz making it a

total of 128GB of memory per server. Each Power Edge R730 consisted of one Mellanox FDR Infiniband HCA card in

the low-profile x8 PCIe Gen3 slot (Linked with CPU2).

Compute node configuration

Page Summary Contents For Dell NAMD Benchmarking Guide on a 4-Node Cluster with Intel Xeon Phi 7120P Coprocessors

Page 1 NAMD benchmarking on 4 nodes cluster with Intel Xeon Phi 7120P Coprocessors by Ashish Kumar Singh This blog explores the application performance analysis of NAMD (NAnoscale Molecular Dynamics) for lar...
Page 2 The BIOS options selected for this blog are as below: NAMD (NAnoscale Molecular Dynamics) is a parallel, object-oriented simulation package written using the Charm++ parallel programming model, design...
Page 3 All the runs with STMV (virus) benchmark were run with ibverbs version of NAMD. The performance analysis with STMV benchmark shown below. STMV (Satellite Tobacco Mosaic Virus) is a small, icosahedral ...
Page 4 Conclusion: With CPUs and two Intel Xeon Phi 7120Ps, the STMV benchmark demonstrated increase of 2.5 times in performance and 2.4 times in power efficiency when compared to CPUs-only configuration, re...

Manual Details

Brand Intel
Pages 4
File Size 211.76 KB
Published May 29, 2026
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Frequently Asked Questions

What function does NAMD perform in this system?

NAMD is a parallel, object-oriented simulation package designed for high performance of large bimolecular systems.

Should Hyper Threading be enabled for these runs?

No, all the performance analysis and benchmark tests were performed with Hyper Threading disabled.

How did using two Intel Xeon Phi 7120P impact power efficiency?

When compared to CPU-only configurations, power efficiency increased by 2.4 times in the STMV benchmark.

What is the total memory capacity of a single PowerEdge R730 server unit?

Each PowerEdge R730 server has eight 16GB DIMMs installed, giving it 128GB of memory.