VMD-L Mailing List

From: Jérôme Hénin (jerome.henin_at_cnrs.fr)
Date: Wed Feb 26 2025 - 04:33:25 CST

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