From: John Stone (
Date: Fri Aug 15 2014 - 16:21:12 CDT

  I have compiled VMD against CUDA 6.5, so unless you're using an older
version of the VMD source code, that should not be an issue at all.

  John Stone

On Fri, Aug 15, 2014 at 04:05:50PM -0500, Chris Knorowski wrote:
> Thanks Josh,
> Do you know if there is a list of the highest version of the dependencies
> that vmd has been compiled with. I'm getting come compilation errors when
> CUDA is enabled and I'm wondering if its related to the version of
> CUDA(5.5) that I'm using.
> Chris
> On Thu, Aug 14, 2014 at 8:48 PM, Josh Vermaas <[1]>
> wrote:
> Hi Chris,
> I have not, as for me it picks up 2.7 without issue. What does a normal
> vmd python start look like for you? (The text from "vmd -dispdev text
> -python") It clearly isn't picking up the system libraries, as I think
> those are 2.7 at minimum, so somewhere, somehow, you missed something in
> the config file.
> This is what I have, based on my build for 12.04:
> $python_definesA A A A = "-DVMDPYTHON";
> $python_includeA A A A = "-I/usr/include/python2.7/";
> $python_libraryA A A A =
> "-L/usr/lib/python2.7/config-x86_64-linux-gnu/";
> $python_libsA A A A A A A = "-lpython2.7 -lpthread";
> The config file also has stuff involving stock_python nonsense, which I
> tend to comment out since its horrifically out of date and not useful to
> me since I define my libraries explicitly. Although... Now that I'm
> looking more closely at the Ubuntu directory structure, your problem may
> be that there isn't actually a shared library under /usr/lib/python2.7
> (which is why my $python_library goes one level deeper).
> Good luck! Compiling VMD for python is hard, but totally worth it in the
> end.
> -Josh Vermaas
> On 08/14/2014 04:52 PM, Chris Knorowski wrote:
> Hi All,
> I am trying to compile vmd against python 2.7. I have changed the
> configure file from python2.5 to python2.7. I have exported export
> PYTHON_LIBRARY_DIR=/usr/lib/python2.7
> and export PYTHON_INCLUDE_DIR=/usr/include/python2.7 then
> run./configure and compiled the src. Still when I run vmd, and use
> gopython the python version is 2.5? I am running on ubuntu with
> version LINUXAMD64. Has anyone else had this issue?
> Thanks,
> Chris
> --
> Christopher Knorowski
> Iowa State Physics Department
> --
> Christopher Knorowski
> Iowa State Physics Department
> References
> Visible links
> 1.

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