From: Diego Gomes (diego.enry_at_gmail.com)
Date: Tue Oct 29 2024 - 15:15:30 CDT

It works for me... 🤔

Can you show me that in a Zoom call ?

On Mon, Oct 28, 2024 at 6:02 PM Marcelo C. R. Melo <melomcr_at_gmail.com>
wrote:

> 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
>
>
>
>
>

-- 
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