VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Apr 09 2014 - 11:31:41 CDT

Tristan,
  There's a special Makefile in the "cionize" plugin source directory
where you can compile a CUDA-enabled binary. It has been my intent to
completely replace the standalone cionize program with handful of new
VMD commands that will enable the development of custom ion placement
tools through the use of the built-in CUDA-accelerated electrostatics
solvers that are already part of recent versions of VMD, so that's
why I haven't put any further time into making a CUDA-enabled cionize
by default. While it won't happen for the VMD 1.9.2 release, I am hopeful
that we'll get this done later this summer.

For the time being, you'll need to compile your own cionize binary from
source, using Makefile.specialbuilds found in the source directory.
Let us know if you need further assistance with this.

Cheers,
  John

On Fri, Apr 04, 2014 at 01:05:50AM +0000, Tristan Croll wrote:
> Hi all,
>
>
>
> As I understand it this is an extension of the cionize plugin, correct? I
> found this line in the VMD 1.9.1 release notes:
>
>
>
> cionize: Updated cionize Makefile for latest CUDA and Intel C/C++
> compilers for the iccgpuionize64 target.
>
>
>
> ... but can't find a compiled CUDA compatible binary. Is this something
> I'll need to compile myself?
>
>
>
> Thanks,
>
>
>
> Tristan
>
>
>
> Tristan Croll
>
> Lecturer
>
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>
> Institute of Health and Biomedical Engineering
>
> Queensland University of Technology
>
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>
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-- 
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
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