Running on GPU multiple nodes

From: Adupa Vasista (
Date: Sun Mar 29 2020 - 04:42:43 CDT

Dear NAMD users

I hope everyone is safe amid the pandemic.

When I try to run the simulation of GPU multiple nodes, I am getting a drop
in the performance when compared to running on a single node. I am using
charmrun to run on multiple nodes. But on the first line on the log file
says *Charm++: standalone mode (not using charmrun).*

Here are the Benchmark results
Info: Benchmark time: 24 CPUs 0.0420026 s/step 0.486141 days/ns 1518.28 MB
Info: Benchmark time: 48 CPUs 0.0556737 s/step 0.644372 days/ns 1799.73 MB

I am using the following command
Running on 2 nodes 24 cores each and 2 GPU's
charmrun +p48 namd2 +idlepoll +devices 0,1 abeta_eq.conf > Solution_eq.log

Here, I attached the log file.

Please let me know if I need to change anything in the command.

Thank you.

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:13 CST