From: John Keller (
Date: Wed Oct 07 2020 - 16:30:11 CDT

Hi All,
Running the QwikMD tutorial starting with 1ubq.pdb, several repeated
simulations have lasted 2 -20 psec before exiting with an error. "IMD
connection ended unexpectedly." "2" processors were chosen after hitting
Start MD Simulation.

This is a workstation with CentOS 8.2, 24-core Threadripper with SMT, 128
GB memory, GTX 980 with nvidia driver 155.23.05 and CUDA v 11.1. Same
result whether or not ASLR is turned on.

VMD 1.9.3 CUDA8-OptiX4-OSRay111p1, NAMD Git-2020-09-21
 Linux-x86_64-multicore-CUDA, and qwikmd_beta are installed.

Do I have the correct versions of VMD/NAMD/QwikMD?
John Keller
Department of Chemistry & Biochemistry
University of Alaska Fairbanks