From: Jason Smith (jason_smith_18_at_sfu.ca)
Date: Thu Apr 15 2021 - 12:51:55 CDT

John,

Please see below for the VMD output. The crash only seems to happen with one of my custom materials on a quicksurf (Other drawing methods not tested). I tested materials that use either a transparency or mirror, as well as a material that uses both. It only seems to crash for the material that uses both. I can provide the pdb and vis state files privately if you like.

Driver version 461.09

If you are able to estimate that perhaps it does require more than the 2 GB of dedicated memory, I can test sometime in the next week on a 4 GB 970 desktop. The 960M system does currently have relatively low avail system memory, but I can't free it up just yet.

Apologies to Nikhil for taking over your thread a little.

===================================================================

Info) VMD for WIN64, version 1.9.4a51 (December 21, 2020)
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, 8 CPUs detected.
Info) CPU features: SSE2 SSE4.1 AVX AVX2 FMA F16 HT
Info) Free system memory: 6349MB (38%)
Info) Creating CUDA device pool and initializing hardware...
CUDA error: invalid device symbol, C:/Users/johns/Desktop/build/vmd/src/CUDAClearDevice.cu line 54
Info) Unable to load NVML library, GPU-CPU affinity unavailable.
Info) Detected 1 available CUDA accelerator::
Info) [0] GeForce GTX 960M 5 SM_5.0 1.2 GHz, 2.0GB RAM SP32 KT AE4 ZC
Info) OpenGL renderer: GeForce GTX 960M/PCIe/SSE2
Info) Features: STENCIL MDE CVA MTX NPOT PP PS GLSL(OVFGS)
Info) Full GLSL rendering mode is available.
Info) Textures: 2-D (16384x16384), 3-D (2048x2048x2048), Multitexture (4)
Info) No joysticks found. Joystick interface disabled.
Info) Detected 1 available TachyonL/OptiX ray tracing accelerator
Info) Compiling OptiX shaders on 1 target GPU...
Info) Dynamically loaded 76 plugins in directory:
Info) C:/Program Files/VMD/plugins/WIN64/molfile
vmd > Info) Using plugin pdb for structure file C:/Users/Jason Smith/OneDrive/COVID-19/Notes on Communication (papers in production)/5RFA 1187.pdb
Info) Using plugin pdb for coordinates from file C:/Users/Jason Smith/OneDrive/COVID-19/Notes on Communication (papers in production)/5RFA 1187.pdb
Info) Determining bond structure from distance search ...
Info) Eliminating bonds duplicated from existing structure...
Info) Finished with coordinate file C:/Users/Jason Smith/OneDrive/COVID-19/Notes on Communication (papers in production)/5RFA 1187.pdb.
Info) Analyzing structure ...
Info) Atoms: 5388
Info) Bonds: 4807
Info) Angles: 0 Dihedrals: 0 Impropers: 0 Cross-terms: 0
Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0
Info) Residues: 1294
Info) Waters: 683
Info) Segments: 1
Info) Fragments: 694 Protein: 2 Nucleic: 0
0
Info) In any publication of scientific results based in part or
Info) completely on the use of the program STRIDE, please reference:
Info) Frishman,D & Argos,P. (1995) Knowledge-based secondary structure
Info) assignment. Proteins: structure, function and genetics, 23, 566-579.
CUDA Thrust sort_by_key() failed: C:/Users/johns/Desktop/build/vmd/src/CUDASort.cu line 190
dev_radix_sort_by_key() failed: C:/Users/johns/Desktop/build/vmd/src/CUDASpatialSearch.cu line 259
CUDA Thrust sort_by_key() failed: C:/Users/johns/Desktop/build/vmd/src/CUDASort.cu line 190
dev_radix_sort_by_key() failed: C:/Users/johns/Desktop/build/vmd/src/CUDASpatialSearch.cu line 259
{{1 0 0 3.883} {0 1 0 2.328} {0 0 1 -9.474} {0 0 0 1}} {{0.465909 0.0444488 0.88373 0} {-0.848048 0.307467 0.431632 0} {-0.252536 -0.950541 0.18095 0} {0 0 0 1}} {{0.0692238 0 0 0} {0 0.0692238 0 0} {0 0 0.0692238 0} {0 0 0 1}} {{1 0 0 0.017413} {0 1 0 -0.049682} {0 0 1 0.485529} {0 0 0 1}}
0
0
CUDA Thrust sort_by_key() failed: C:/Users/johns/Desktop/build/vmd/src/CUDASort.cu line 190
dev_radix_sort_by_key() failed: C:/Users/johns/Desktop/build/vmd/src/CUDASpatialSearch.cu line 259
Info) Rendering current scene to 'vmdscene.ppm' ...
OptiXDisplayDevice) Total rendering time: 0.72 sec
Info) Executing post-render cmd 'explorer vmdscene.ppm' ...
Info) Rendering complete.
Info) Rendering current scene to 'vmdscene.ppm' ...
OptiXDisplayDevice) Total rendering time: 0.34 sec
Info) Executing post-render cmd 'explorer vmdscene.ppm' ...
Info) Rendering complete.
Info) Rendering current scene to 'vmdscene.ppm' ...
ERROR) OptiXRenderer) ERROR: Unknown error (Details: Function "_rtContextLaunch2D" caught exception: Encountered a CUDA error: cudaDriver().CuEventSynchronize( m_event ) returned (702): Launch timeout, file: <internal>, line: 0) (c:\users\johns\desktop\build\vmd\src\optixrenderer.c:4969
ERROR) OptiXRenderer) ERROR: Unknown error (Details: Function "_rtContextLaunch2D" caught exception: Assertion failed: "!m_launching : Memory manager launch is already active", file: <internal>, line: 1103) (c:\users\johns\desktop\build\vmd\src\optixrenderer.c:4975
OptiXRenderer) Error during rendering. Rendering aborted.
ERROR) OptiXRenderer) ERROR: Unknown error (Details: Function "_rtAccelerationDestroy" caught exception: Assertion failed: "!m_launching", file: <internal>, line: 211) (c:\users\johns\desktop\build\vmd\src\optixrenderer.c:1426
ERROR) OptiXRenderer) ERROR: Unknown error (Details: Function "_rtAccelerationDestroy" caught exception: Assertion failed: "!m_launching", file: <internal>, line: 211) (c:\users\johns\desktop\build\vmd\src\optixrenderer.c:1429
ERROR) OptiXRenderer) ERROR: Unknown error (Details: Function "_rtAccelerationDestroy" caught exception: Assertion failed: "!m_launching", file: <internal>, line: 211) (c:\users\johns\desktop\build\vmd\src\optixrenderer.c:1432
ERROR) OptiXRenderer) ERROR: Unknown error (Details: Function "_rtGroupDestroy" caught exception: Assertion failed: "!m_launching", file: <internal>, line: 211) (c:\users\johns\desktop\build\vmd\src\optixrenderer.c:1433

Cheers,

-
Jason Smith
Post-Doctoral Fellow
Robert N. Young Lab, Simon Fraser University
8888 University Drive, Burnaby, BC, V5A-1S6
Canada

________________________________
From: John Stone <johns_at_ks.uiuc.edu>
Sent: Thursday, 15 April 2021 9:38:02 AM
To: Jason Smith
Cc: Geist, Norman; Nikhil Maroli; Vmd L
Subject: Re: vmd-l: Rendering using GPU

Jason,
  There shouldn't be crashes on the older GPUs, even with things like
mirror reflection being used. It's possible that on a 960M one might
run short on GPU memory, but I'm still surprised you're getting a crash.
What driver version are you running on that machine? Does VMD print any
errors when this crash you've described occurs?

Best,
  John Stone

On Thu, Apr 15, 2021 at 04:26:05PM +0000, Jason Smith wrote:
> My Apologies,
>
> I just tested 1.9.4a51v6 on a 960M (while John was writing his reply) and
> both in-memory and interactive tachyon-optix works fine, so long as you
> aren't attempting to use RT-based effects like mirror (which leads to a
> crash-to-desktop).
>
> Cheers,
>
> -
> Jason Smith
> Post-Doctoral Fellow
> Robert N. Young Lab, Simon Fraser University
> 8888 University Drive, Burnaby, BC, V5A-1S6
> Canada
>
> --------------------------------------------------------------------------
>
> From: Jason Smith
> Sent: Thursday, 15 April 2021 9:08:29 AM
> To: John Stone; Geist, Norman
> Cc: Nikhil Maroli; Vmd L
> Subject: Re: vmd-l: Rendering using GPU
>
>
> Correct me if I'm wrong, but ray tracing with Optix requires the ray
> tracing cores present on 2000 and later series NVidia GPUs.
>
> Cheers,
>
> -
> Jason Smith
> Post-Doctoral Fellow
> Robert N. Young Lab, Simon Fraser University
> 8888 University Drive, Burnaby, BC, V5A-1S6
> Canada
>
> --------------------------------------------------------------------------
>
> From: owner-vmd-l_at_ks.uiuc.edu <owner-vmd-l_at_ks.uiuc.edu> on behalf of John
> Stone <johns_at_ks.uiuc.edu>
> Sent: Thursday, 15 April 2021 8:20:42 AM
> To: Geist, Norman
> Cc: Nikhil Maroli; Vmd L
> Subject: Re: vmd-l: Rendering using GPU
>
> Hi,
> When VMD starts up, it automatically detects NVIDIA GPUs
> that support CUDA and OptiX (OptiX is the ray tracing development
> framework I used to write the existing lightegith GPU version of Tachyon).
> If you've got up-to-date NVIDIA drivers, you should see a VMD startup
> message
> that looks similar to this:
>
> Info) Detected 3 available TachyonL/OptiX ray tracing accelerators
> Info) Compiling OptiX shaders on 3 target GPUs...
>
> If no OptiX-capable GPUs are seen by VMD, then you won't see the
> various "TachyonL-OptiX" renderers listed in in the File->Render menu.
>
> Best regards,
> John Stone
>
> On Thu, Apr 15, 2021 at 10:45:48AM +0200, Geist, Norman wrote:
> > Use renderers with optix in their names.
> >
> > Am Donnerstag, den 15-04-2021 um 09:31 schrieb Nikhil Maroli:
> >
> > Dear All,
> > I am having 3 x 1070 with a 2 x 12 core processor. I have
> installed VMD
> > for CUDA versions. When I load VMD I can see it uses 700Mb from the
> > card, however rendering always running on the processor.
> > Can anyone tell me how I use cards for rendering purposes
> > Nikhil
> > --
>
> --
> NIH Center for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> [1]http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> [2]http://www.ks.uiuc.edu/Research/vmd/
>
> References
>
> Visible links
> 1. http://www.ks.uiuc.edu/~johns/
> 2. http://www.ks.uiuc.edu/Research/vmd/

--
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/