VMD-L Mailing List

From: Diego Gomes (diego.enry_at_gmail.com)
Date: Wed Feb 26 2025 - 09:20:40 CST

Hi Jerome & Josh, checking if tk is running resolves the issue.
I placed a merge request to fix that :)

# Load new TTK theme, when in non-text modes
if [info exists tk_version] {
  source $env(VMDDIR)/scripts/vmd/ttk_theme.tcl
}

On Wed, Feb 26, 2025 at 9:10 AM Jérôme Hénin <jerome.henin_at_cnrs.fr> wrote:

> Ah, that makes sense. Thanks Josh!
>
> Jérôme
> On 2/26/25 14:46, Vermaas, Josh wrote:
>
> Hi Jerome,
>
> They changed the contents of the file. It now has a line at the bottom
> that sets a theme. If this theme isn't present (or if you are running in
> text mode?), it'll bail. My suggestion is to comment out the line at the
> bottom, and see if that "fixes" it. You might be missing some theming, but
> at least it'll start.
>
> -Josh
>
> On 2/26/25 05:33, Jérôme Hénin wrote:
>
> Hi all,
>
> We see an error at startup with the current public alpha binary, and with
> a custom build on Ubuntu 22:
>
> Info) VMD for LINUXAMD64, version 2.0.0b01 (February 19, 2025)
> Info) http://www.ks.uiuc.edu/Research/vmd/
> <https://urldefense.com/v3/__http://www.ks.uiuc.edu/Research/vmd/__;!!HXCxUKc!0kd3dKSI9v3-DwHt7OfJrrdpOUyy3lD1cVI7sY8XX8EUEqRuSOkMDEi6h9CDsN__G54AQpA90jj5SUQckGsTHtk$>
>
> Info) Email questions and bug reports to vmd_at_ks.uiuc.edu
> Info) Please include this reference in published work using VMD:
> Info) Humphrey, W., Dalke, A. and Schulten, K., `VMD - Visual
> Info) Molecular Dynamics', J. Molec. Graphics 1996, 14.1, 33-38.
> Info) -------------------------------------------------------------
> Info) Multithreading available, 20 CPUs.
> Info) CPU features: SSE2 SSE4.1 AVX AVX2 FMA F16 HT
> Info) Free system memory: 20GB (63%)
> Info) Creating CUDA device pool and initializing hardware...
> Info) Detected 1 available CUDA accelerator::
> Info) [0] NVIDIA GeForce GTX 1080 20 SM_6.1 1.7 GHz, 7.9GB RAM SP32 KT AE2
> ZC
> ERROR) Could not read the vmd initialization file -
> ERROR) source {/data/jhenin/lib/vmd2/scripts/vmd/vmdinit.tcl}
> ERROR) invalid command name "ttk::setTheme"
> ERROR) The VMDDIR environment variable is set by the startup
> ERROR) script and should point to the top of the VMD hierarchy.
> ERROR) VMD will continue with limited functionality.
> ERROR) Duplicate resname "4YS"
> ERROR) Duplicate resname "YGA"
>
> Then the graphical interface does not start.
>
> But vmdinit.tcl question is accessible at that path and has the right
> permissions. Any ideas?
>
> Thanks,
>
> Jérôme
>
>
> --
> Josh Vermaasvermaasj_at_msu.edu
> Assistant Professor, Plant Research Laboratory and Biochemistry and Molecular Biology
> Michigan State Universityvermaaslab.github.io
>
> 

-- 
Diego Enry B. Gomes, PhD
Department of Physics at Auburn University &
NIH Center for Macromolecular Modeling and Visualization
Leach Science Center - Ste. 3182 - Auburn, AL
dgomes_at_auburn.edu