VMD-L Mailing List

From: Vermaas, Josh (vermaasj_at_msu.edu)
Date: Wed Feb 26 2025 - 07:46:18 CST

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/$>
Info) Email questions and bug reports to vmd_at_ks.uiuc.edu<mailto: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 Vermaas
vermaasj_at_msu.edu<mailto:vermaasj_at_msu.edu>
Assistant Professor, Plant Research Laboratory and Biochemistry and Molecular Biology
Michigan State University
vermaaslab.github.io