VMD-L Mailing List

From: Chris Broomell (ccbroomell_at_gmail.com)
Date: Mon Mar 30 2020 - 15:58:00 CDT

All,

One more question:

Would it be a feasible workaround if I created a subsystem for Linux on my
Windows machine and ran the 64-bit build for Linux that way (I do have
64-bit Win10)? Forgive me if this is an ignorant question...I'm ignorant.

Absent something like this is sounds like I'm sunk until there's a 64-bit
Windows build available. That being the case...any recommendations for
working with large pdb files (i'm only doing structural visualizations...no
dynamics).

Thanks for your forbearance.

Chris

On Mon, Mar 30, 2020 at 3:49 PM <ccbroomell_at_gmail.com> wrote:

> Thanks, John, for the response. Enjoy the bunker!
>
> Chris
>
> > On Mar 30, 2020, at 15:01, John Stone <johns_at_ks.uiuc.edu> wrote:
> >
> > Hi guys,
> > Catching up on my exploding inbox.
> > Thanks Axel and others, everything said so far here is accurate.
> >
> > I myself have been holding my breath too long for some of the issues
> > on 64-bit APIs to be resolved.
> >
> > The path forward is that I'll make 64-bit VMD builds available, and the
> > features that have 64-bit support will be included, and those that
> > don't simply will not.
> >
> > I'm looking at workarounds for issues like the proprietary 3-D input
> > device APIs. Some features like the hardware accelerated interactive
> > ray tracing engines on Intel and NVIDIA's hardware only support 64-bit
> > Windows anyway. We'll likely lose a few features, but we'll gain others,
> > and the users can choose the best version for the job.
> >
> > I've got a Windows system in my home office / bunker / homeschool
> classroom
> > here during lockdown, so I should be able to work on this despite the
> > current situation with IL state lockdown etc.
> >
> > Best,
> > John
> >
> >> On Mon, Mar 30, 2020 at 02:21:25PM -0400, Mortimer Hemmit wrote:
> >> Here's one example:
> >> https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/21572.html
> >>
> >>> On Mon, Mar 30, 2020 at 2:11 PM Axel Kohlmeyer <akohlmey_at_gmail.com>
> wrote:
> >>>
> >>> yes, but don't hold your breath.
> >>> if you search the mailing list archive, you will find multiple
> discussion on the subject and explanations for why there is no 64-bit
> windows version yet.
> >>>
> >>> Axel.
> >>>
> >>> On Mon, Mar 30, 2020 at 1:31 PM <ccbroomell_at_gmail.com> wrote:
> >>>>
> >>>> Thanks for the response. Is there any plan to develop a 64 bit
> windows build?
> >>>>
> >>>> Chris
> >>>>
> >>>> On Mar 30, 2020, at 13:12, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
> >>>>
> >>>> ???
> >>>> The VMD windows binary is 32bit and thus memory is limited. To use
> more RAM you would need to run on a different OS for which a 64bit binary
> is available.
> >>>>
> >>>> --
> >>>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> >>>> College of Science & Technology, Temple University, Philadelphia PA,
> USA
> >>>> International Centre for Theoretical Physics, Trieste, Italy
> >>>>
> >>>> On Mon, Mar 30, 2020, 12:39 Chris Broomell <ccbroomell_at_gmail.com>
> wrote:
> >>>>>
> >>>>> Hi,
> >>>>>
> >>>>> I am comparing structures of larger VLPs and have been running into
> issues when analyzing large files. Typical errors include "failed to
> increase display list memory pool size, system out of memory." I'm working
> with surface maps (both the shipped flavor as well as MSMS)...mostly cryo
> and Xray structures of larger VLPs.
> >>>>>
> >>>>> Is it possible to change the amount of memory that is allocated for
> VMD processes?
> >>>>>
> >>>>> If not - are there any recommendations for how to optimize my system
> to mitigate this?
> >>>>>
> >>>>> My system is:
> >>>>> Win10
> >>>>> 16GB RAM
> >>>>> NVIDIA RTX 2070 super (6GB DDR6)
> >>>>>
> >>>>> Thanks in advance for any help that you could offer.
> >>>>>
> >>>>> Chris
> >>>
> >>>
> >>>
> >>> --
> >>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> >>> College of Science & Technology, Temple University, Philadelphia PA,
> USA
> >>> International Centre for Theoretical Physics, Trieste. Italy.
> >
> > --
> > 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/
>