VMD-L Mailing List

From: Matthew Kenney (matthew.kenney_at_cellsignal.com)
Date: Mon Jul 16 2018 - 15:37:32 CDT

Hi John,

Sorry about the binaries issue. I have now removed them from the image and
asked that users download them directly from the vmd site and place them
alongside the Dockerfile that builds the binaries into the container. I
have also made my Dockerhub repository private, in case this is a violation
as well.

Thank you for your advice on the GLX rendering. To make sure VMD was
working well with these containers, I ran the same "test scenes" that you
included in your VMD image hosted on nvcr.io and compared the performance
of the containers I just created to yours, and found that they achieved the
quicksurf calculation on the HIV capsid molecule at the approximately the
same rate. I ran these tests a few different times, using both
openglpbuffer and opengl as --dispdev options, and found that both the
nvcr.io container and the containers I just published were
comparable...sometimes the one I built won out by a second or two, and
sometimes the nvcr.io container won out by a second or two.

I had not thought of using the glxinfo command, but I just installed
mesa-utils in both of the new containers and ran glxinfo, and found that
they had exactly the same output as running glxinfo from my local machine,
and loaded all the same glx extensions as my local machine. Crucially, each
container displayed "direct rendering: Yes" and recognized my cuda
accelerated GPU.

If you have any other concerns, please let me know. Also, if you have any
other advice about the glx performance, feel free to share as I would
definitely like to make sure that these containers are performing optimally--00000000000027d8f5057123cdc8--