From: John Stone (
Date: Mon Mar 11 2019 - 15:39:34 CDT

  The 'volmap' plugin its associated C code were originally written
outside of and independently of VMD, so they don't really follow
the multithreading or MPI parallelization schemes used in the other
analysis-oriented parts of VMD.

What 'volmap' command/feature are you using currently? There are now
some alternatives to volmap for things like density map calculations that
are substantially faster (GPU accelerated, and/or CPU multithreading) that
may be a viable alternative for you to try out. Let me know what
you're actually doing and I can give further suggestions, or at least
an outlook for when the last bits of 'volmap' will have been superceded
with the new and in-development code.

  John Stone

On Sun, Mar 10, 2019 at 10:55:43PM +0000, McGuire, Kelly wrote:
> I was told VMD can be used on a node with multiple CPUs, is this true?
> What about VMD's plugins though, such as Volmap? Can VMD and plugins use
> multiple CPUs and, thus, be able to use more RAM when selecting
> memory-per-cpu in my submit script?
> Kelly L. McGuire
> PhD Candidate
> Biophysics
> Department of Physiology and Developmental Biology
> Brigham Young University
> LSB 3050
> Provo, UT 84602

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