From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jul 09 2013 - 14:02:01 CDT

Jim,
  Great! That eliminates this issue for all plugins that run
NAMD jobs, not just namdenergy...

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Jul 09, 2013 at 01:57:02PM -0500, Jim Phillips wrote:
>
> I checked in a fix for this on April 4. Current nightly builds available
> for download should not require +idlepoll.
>
> -Jim
>
> On Tue, 9 Jul 2013, John Stone wrote:
>
> >Hi,
> > Thanks for the note. I'm CCing Jim Phillips to see if he has comments
> >on how we can improve this situation. Currently there's no way for
> >the namdenergy plugin to know if the NAMD binary is a CUDA binary or not,
> >so I'm not sure what the best long-term fix is. We'll see what Jim
> >suggests.
> >
> >Cheers,
> > John Stone
> > vmd_at_ks.uiuc.edu
> >
> >On Sun, Jun 30, 2013 at 04:42:38PM -0400, Alessandro Mascioni wrote:
> >> Hello,
> >> I noticed that the namdenergy plug-in in VMD 1.9.1 does not work on
> >> CUDA
> >> systems.
> >> I have NAMD_2.9_Linux-x86_64-multicore-CUDA, and when I try to run
> >> namdenergy from the VMD gui it gives me an error requiring the
> >> +idlepoll
> >> option.
> >> If I modify the namdenergy.tcl script to include +idlepoll (as
> >> suggested
> >> in an older post), then it complains that certain energy terms cannot
> >> be
> >> execuded on the GPU.
> >>
> >> The only way I could find to fix this issue is to download the non CUDA
> >> version of namd 2.9 (NAMD_2.9_Linux-x86_64-multicore) hard code the
> >> path
> >> inside the namdenergy.tcl scipt:
> >> if {$namdcmd == "DUMMY"} {
> >> set namdcmd "/home/me/NAMD_2.9_Linux-x86_64-multicore/namd2"
> >> # set namdcmd \
> >> # [::ExecTool::find -interactive \
> >> # -description "NAMD 2.x Molecular Dynamics Engine" \
> >> # -path [file join /usr/local/bin/namd2] namd2]
> >> }
> >>
> >> I don't know if other plugins are also affected by this and if there
> >> is a
> >> more elegant fix for it.
> >>
> >> Thanks,
> >>
> >> Al
> >
> >--
> >NIH Center for Macromolecular Modeling and Bioinformatics
> >Beckman Institute for Advanced Science and Technology
> >University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> >http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> >http://www.ks.uiuc.edu/Research/vmd/
> >

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/