VMD-L Mailing List

From: Jérôme Hénin (jerome.henin_at_cnrs.fr)
Date: Wed Feb 26 2025 - 08:19:28 CST

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/
>> 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 Vermaas
> vermaasj_at_msu.edu
> Assistant Professor, Plant Research Laboratory and Biochemistry and Molecular Biology
> Michigan State University
> vermaaslab.github.io