VMD-L Mailing List
From: Marcelo C. R. Melo (melomcr_at_gmail.com)
Date: Mon Oct 28 2024 - 17:00:45 CDT
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Hi all,
I am seeing a strange VMD behavior when using Tachyon RTRT render mode: The
region of the screen that renders molecules does not increase when the
OpenGL display is resized. When I stretch the opengl display window to be
larger, VMD only renders the scene on a small fraction of the main window
that covers the original window size. If I switch to the GLSL render mode,
the problem disappears (the full window is used for rendering), but
selecting RTRT again causes the issue to return. No error message is
written to the VMD terminal session (full VMD output is at the end of the
email), and I can't see any on dmesg either.
The interactive (Tachyon-OptiX) rendering just shows a black screen, with
nothing rendered at all. The internal (Tachyon-OptiX, in-memory,
GPU-accelerated) rendering actually renders something, but the molecule is
shifted in the scene and only a small fractions is rendered (interestingly,
not the same fraction shown in the OpenGL display window).
I am using the latest VMD binary (1.9.4a55) on a Fedora 40 workstation with
an RTX 4500 Ada.
nvidia-smi tells me:
Driver Version: 560.35.03
CUDA Version: 12.6
Any help or suggestion to debug this would be greatly appreciated!
Best,
Marcelo
This is the VMD output to the terminal when loading an STMV test system
(smaller systems show the same problem):
Info) VMD for LINUXAMD64, version 1.9.4a55 (October 19, 2021)
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, 64 CPUs, ISA dispatch enabled.
Info) CPU features: SSE2 SSE4.1 AVX AVX2 FMA F16 AVX512F AVX512CD HT
Info) Free system memory: 244GB (97%)
Info) Creating CUDA device pool and initializing hardware...
Info) Detected 1 available CUDA accelerator::
Info) [0] NVIDIA RTX 4500 Ada Generation 60 SM_8.9 2.6 GHz, 24GB RAM SP64
AE2 ZC
Info) OpenGL renderer: NVIDIA RTX 4500 Ada Generation/PCIe/SSE2
Info) Features: STENCIL MSAA(4) MDE CVA MTX NPOT PP PS GLSL(OVFGS)
Info) Full GLSL rendering mode is available.
Info) Textures: 2-D (32768x32768), 3-D (16384x16384x16384), Multitexture
(4)
OpenGLDisplayDevice) Creating OptiX RTRT context...
OpenGLDisplayDevice) OptiX RTRT context created.
Info) Detected 1 available TachyonL/OptiX ray tracing accelerator
Info) Compiling OptiX shaders on 1 target GPU...
Info) Dynamically loaded 3 plugins in directory:
Info) /usr/local/lib/vmd/plugins/LINUXAMD64/molfile
after#0
Info) Using plugin pdb for structure file stmv.pdb
Info) Using plugin pdb for coordinates from file stmv.pdb
Info) Determining bond structure from distance search ...
Info) Finished with coordinate file stmv.pdb.
Info) Analyzing structure ...
Info) Atoms: 1066628
Info) Bonds: 769956
Info) Angles: 0 Dihedrals: 0 Impropers: 0 Cross-terms: 0
Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0
Info) Residues: 310397
Info) Waters: 299855
Info) Segments: 190
Info) Fragments: 300689 Protein: 60 Nucleic: 1
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