Important: Please read the webpage Making efficient use of Biowulf's Multinode Partition before running large parallel jobs.
Older Benchmarks: [NAMD 2.12] [NAMD 2.10] [NAMD 3.0]
July 2026 STMV benchmark, 1,066,628 atoms, periodic, PME (available from here)
NAMD config file used for these GPU benchmarks was run with GPUAtomMigration and GPUForceTable ON for the a100s, OFF for v100x,v100, and p100.
These benchmarks are simply provided here to give an estimate of the performance. Users who use NAMD 3.0.2 for their own runs should carefully read the NAMD 3.0.2 documentation.
Hardware:
The Infiniband CPU benchmarks were performed with NAMD 2.14, Linux-x86_64-ibverbs , downloaded from here.
Hardware: 28 x 2.3 GHz (Intel E5-2695v3) (Biowulf multinode partition, x2695 nodes)
GPU benchmarks were performed with NAMD 2.14, Linux-x86_64-ibverbs-smp-CUDA downloaded from here.
Hardware: as above for the 3.0alpha13 benchmarks.
OS: Rocky Linux release 8.7
