From: Vlastimil Zíma (zima_at_karlov.mff.cuni.cz)
Date: Wed Oct 24 2012 - 05:21:43 CDT
Hi,
I use latest NAMD 2.9 for Linux-x86_64-multicore-CUDA downloaded as
compiled binary. I have troubles to run it on one of the machines I
use. It has GeForce 9600 GT and run on Ubuntu Precise with kernel
3.2.0-32-generic. We tried drivers from nvidia in versions 295.40 and
304.48.
When I start namd there it runs for a few steps (between 0 and 38000)
then it pauses on error
OwnerBox::close() - close called, but closeCount 0 openCount 1
Namd is still running on all the processors which were used, it just
does not proceed with the computation (maybe it does, but it does not
produce any output).
The script I use to start the namd:
#!/bin/bash
NAMD_PATH=$HOME/src/NAMD_2.9_Linux-x86_64-multicore-CUDA
LD_LIBRARY_PATH="$NAMD_PATH:$LD_LIBRARY_PATH" $NAMD_PATH/namd2
+idlepoll +p8 +devices 0 "$@"
The simulated system is small, it has only 10752 atoms and is under
periodic boundary condition. Simulation works fine, when I use namd
only on CPUs. I can add any additional information which are required
to identify or solve the problem.
I will be glad for any help
Vlastimil
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:22:11 CST