running namd gpu version

From: Sanjana Anil Kumar Nair (
Date: Sat Aug 29 2015 - 05:21:41 CDT

i am trying to run simulations of a protein using NAMD gpu version.

I have installed the following version
: NAMD_2.9_Linux-x86_64-multicore-CUDA and run the simulations on 2 nodes
(16 processors with 2 GPU cards). However, in the output file, i see the
message : running on 1 physical nodes. the number of physical nodes does
not increase above 1. how can this be corrected?
Following is the script used :
NAMD_2.9_Linux-x86_64-multicore-CUDA/namd2 +idlepoll +p16 +devices 0,1

Secondly, i also installed another NAMD version, namely
: NAMD_2.9_Linux-x86_64-ibverbs-smp-CUDA
However, on running this version, i get the following error : Segmentation
fault (core dumped). I do not know how to resolve this error. Please help
me resolve the issue at the earliest.

Thanking you,

This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:21:17 CST