Molecular Dynamics Benchmarks GPU Roundup GROMACS NAMD2 NAMD 3alpha on 12 GPUs

We have a new collection of GPU accelerated Molecular Dynamics benchmark packages put together for GROMACS, NAMD 2, and NAMD 3-alpha10. (The benchmark packages will be available to the public soon.) In this post we present results for,
– 3 applications: GROMACS, NAND 2 and NAMD 3alpha10,
– 8 MD simulations,
– 12 different NVIDIA GPUs,
– 96 total results.

LTSP Configuration for Benchmark Platform of Diskless Workstations

In this post we look at using a testing Lab of Windows systems as a benchmarking platform for Linux scientific application using network boot with nfsroot and home mounts. Linux is boot on the systems “diskless” leaving the Windows installs untouched. LTSP turned out to be a great time saver for setting up the configuration.

NVIDIA GPU Power Limit vs Performance

This post presents testing data showing that power-limit reduction on NVIDIA GPUs have give significant benefits for both high wattage and lower wattage GPUs. Power-limit vs Performance data is presented for 1-4 A5000 and 1-4 RTX3090 GPUs.

NVIDIA GPU Powerlimit Systemd Setup Script

In this post I am referencing a Bash shell script I recently put together for setting up automatic NVIDIA GPU power-limit lowering at system boot. This allows a reliable way to configure and maintain multi-GPU systems for stable operation under heavy load.

How-To: Make Ubuntu Autoinstall ISO with Cloud-init

This post will guide you through the process of creating an Ubuntu 20.04 (or newer) autoinstall ISO by modifying the default installer ISO. The install configuration will be done using cloud-init cloud-config method that is now used for the Ubuntu server installer.

How To Use SSH Client and Server on Windows 10

This post is a setup guide and introduction to ssh client and server on Windows 10. Microsoft has a native OpenSSH client AND server on Windows. They are standard (and in stable versions) on Windows 10 since the 1809 “October Update”. This guide should helpful to both Windows and Linux users who want better interoperability.

AMD Threadripper and (1-4) NVIDIA 2080Ti and 2070 for NAMD Molecular Dynamics

In my recent testing with the AMD Threadripper 2990WX is was impressed by the CPU based performance with the molecular dynamics program NAMD. NAMD makes a good benchmark for looking at CPU/GPU performance since it requires a balance and is usually limited by CPU. After some discussions I decided it would be good to look at multi-GPU performance with NAMD on Threadripper.

AMD Threadripper 2990WX 32-core vs Intel Xeon-W 2175 14-core – Linpack NAMD and Kernel Build Time

I recently wrote a post about building and running AMD Threadripper 2990WX with HPL Linpack – a “How-To”. Most of the time I had with the processor went into getting that to work. However, I did run a few other test jobs that I thought the 2990WX would do well with. I compared that against my personal workstation with a Xeon-W 2175. In this post I share those test runs with you. It’s not thorough testing by any means but it was interesting and I was surprised a couple of times with the results.

How to Run an Optimized HPL Linpack Benchmark on AMD Ryzen Threadripper — 2990WX 32-core Performance

The AMD Ryzen Threadripper 2990WX with 32 cores is an intriguing processor. I’ve been asked about performance for numerical computing and decided to find out how well it would do with my favorite benchmark the “High Performance Linpack” benchmark. This is used to rank Supercomputers on the Top500 list. It is not always simple to run this test since it can require building a few libraries from source. This includes the all important BLAS library which AMD has optimized in their BLIS package. I give you a complete How-To guide for getting this running to see what the 2990WX is capable of.