CUDA problem: Error initializing CUDA: CUDA_ERROR_UNKNOWN (999)

[jliu321@…]

The following bug report has been submitted:
Platform:        Linux-5.3.0-55-generic-x86_64-with-debian-buster-sid
ChimeraX Version: 0.93 (2020-04-03)
Description
hi, I am not familiar with all this. But after I installed the ChimeraX with isolde as well as a cuda package, it worked for a few days. And now it suddenly start to pop up this error again. I am not quite sure why. 

Log:
UCSF ChimeraX version: 0.93 (2020-04-03)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> toolshed show ISOLDE

> set selectionWidth 4

Done loading forcefield  

> open /home/jing/.local/share/ChimeraX/0.93/site-
> packages/chimerax/isolde/demo_data/6out/6out.pdb

6out.pdb title:  
Asymmetric focused reconstruction of human norovirus gi.1 norwalk strain VLP
asymmetric unit In T=3 symmetry [more info...]  
  
Chain information for 6out.pdb #1  
---  
Chain | Description  
A B C | capsid protein VP1  
  
6out.pdb title:  
Asymmetric focused reconstruction of human norovirus gi.1 norwalk strain VLP
asymmetric unit In T=3 symmetry [more info...]  
  
Chain information for 6out.pdb  
---  
Chain | Description  
1.2/A 1.2/B 1.2/C | capsid protein VP1  
  

> open 20205 fromDatabase emdb

Opened emd_20205.map, grid size 98,112,104, pixel 1.07,1.07,1.07, shown at
level 0.287, step 1, values float32  

Unknown command: clilpper assoc #2 to #1  

Invalid "toModel" argument: invalid structure specifier  

> clipper associate #2 toModel #1

> set bgColor white

> addh

Summary of feedback from adding hydrogens to 6out.pdb #1.2  
---  
notes | Termini for 6out.pdb (#1.2) chain A determined from SEQRES records  
Termini for 6out.pdb (#1.2) chain B determined from SEQRES records  
Termini for 6out.pdb (#1.2) chain C determined from SEQRES records  
Chain-initial residues that are actual N termini: /B THR 9  
Chain-initial residues that are not actual N termini: /A ASP 29, /C ASP 29  
Chain-final residues that are actual C termini: /A SER 520  
Chain-final residues that are not actual C termini: /B ALA 519, /C ALA 519  
Missing OXT added to C-terminal residue /A SER 520  
1438 hydrogen bonds  
Adding 'H' to /A ASP 29  
Adding 'H' to /C ASP 29  
/B ALA 519 is not terminus, removing H atom from 'C'  
/C ALA 519 is not terminus, removing H atom from 'C'  
11439 hydrogens added  
  

> hide HC

> select #1

22945 atoms, 23062 bonds, 12 models selected  

> isolde sim start sel

Traceback (most recent call last):  
File "/home/jing/bin/chimerax-0.93/lib/python3.7/site-
packages/chimerax/cmd_line/tool.py", line 258, in execute  
cmd.run(cmd_text)  
File "/home/jing/bin/chimerax-0.93/lib/python3.7/site-
packages/chimerax/core/commands/cli.py", line 2848, in run  
result = ci.function(session, **kw_args)  
File "/home/jing/.local/share/ChimeraX/0.93/site-
packages/chimerax/isolde/cmd.py", line 88, in isolde_sim  
isolde.start_sim()  
File "/home/jing/.local/share/ChimeraX/0.93/site-
packages/chimerax/isolde/isolde.py", line 2709, in start_sim  
sm.start_sim()  
File "/home/jing/.local/share/ChimeraX/0.93/site-
packages/chimerax/isolde/openmm/openmm_interface.py", line 667, in start_sim  
sh.start_sim()  
File "/home/jing/.local/share/ChimeraX/0.93/site-
packages/chimerax/isolde/openmm/openmm_interface.py", line 1570, in start_sim  
self._prepare_sim()  
File "/home/jing/.local/share/ChimeraX/0.93/site-
packages/chimerax/isolde/openmm/openmm_interface.py", line 1531, in
_prepare_sim  
integrator, platform, properties)  
File "/home/jing/bin/chimerax-0.93/lib/python3.7/site-
packages/simtk/openmm/app/simulation.py", line 105, in __init__  
self.context = mm.Context(self.system, self.integrator, platform,
platformProperties)  
File "/home/jing/bin/chimerax-0.93/lib/python3.7/site-
packages/simtk/openmm/openmm.py", line 11125, in __init__  
this = _openmm.new_Context(*args)  
Exception: Error initializing CUDA: CUDA_ERROR_UNKNOWN (999) at
/opt/conda/conda-
bld/openmm_1567095858138/work/platforms/cuda/src/CudaContext.cpp:148  
  
Exception: Error initializing CUDA: CUDA_ERROR_UNKNOWN (999) at
/opt/conda/conda-
bld/openmm_1567095858138/work/platforms/cuda/src/CudaContext.cpp:148  
  
File "/home/jing/bin/chimerax-0.93/lib/python3.7/site-
packages/simtk/openmm/openmm.py", line 11125, in __init__  
this = _openmm.new_Context(*args)  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 NVIDIA 435.21
OpenGL renderer: GeForce GTX 1650/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: LENOVO
Model: 20QV0007US
OS: Ubuntu 19.10 eoan
Architecture: 64bit ELF
CPU: 12 Intel(R) Core(TM) i7-9750H CPU @ 2.60GHz
Cache Size: 12288 KB
Graphics:
	00:02.0 VGA compatible controller [0300]: Intel Corporation UHD Graphics 630 (Mobile) [8086:3e9b]
	Subsystem: Lenovo UHD Graphics 630 (Mobile) [17aa:229f]
	Kernel driver in use: i915

[Eric Pettersen]

Reported by Jing Liu

[Tristan Croll]

Hmm... that's really not a lot to go on. CUDA_ERROR_UNKNOWN is about as 
non-specific as it gets. Do things work if you switch to using OpenCL 
(on the bottom right of the ISOLDE panel, set the experience level to 
"advanced" then choose OpenCL in the blue drop-down that appears in the 
"Sim settings" tab)? Some possibilities I've seen mentioned:

- this may happen on some machines if they've been put to sleep and 
reawakened without going through a full reboot
- the GPU might not be getting sufficient power (seems unlikely, but not 
impossible).

On 2020-06-15 17:36, ChimeraX wrote:

[jliu321@…]

Thank you very much. I restarted the PC and it works now.

Best.

Jing
________________________________
From: ChimeraX <ChimeraX-bugs-admin@cgl.ucsf.edu>
Sent: Monday, June 15, 2020 10:32 AM
To: Jing Liu <jliu321@stanford.edu>; tic20@cam.ac.uk <tic20@cam.ac.uk>
Subject: Re: [ChimeraX] #3394: CUDA problem: Error initializing CUDA: CUDA_ERROR_UNKNOWN (999)

#3394: CUDA problem: Error initializing CUDA: CUDA_ERROR_UNKNOWN (999)
----------------------------------+---------------------------
          Reporter:  jliu321@…    |      Owner:  Tristan Croll
              Type:  defect       |     Status:  assigned
          Priority:  normal       |  Milestone:
         Component:  Third Party  |    Version:
        Resolution:               |   Keywords:
        Blocked By:               |   Blocking:
Notify when closed:               |   Platform:  all
           Project:  ChimeraX     |
----------------------------------+---------------------------

Comment (by Tristan Croll):

 {{{
 Hmm... that's really not a lot to go on. CUDA_ERROR_UNKNOWN is about as
 non-specific as it gets. Do things work if you switch to using OpenCL
 (on the bottom right of the ISOLDE panel, set the experience level to
 "advanced" then choose OpenCL in the blue drop-down that appears in the
 "Sim settings" tab)? Some possibilities I've seen mentioned:

 - this may happen on some machines if they've been put to sleep and
 reawakened without going through a full reboot
 - the GPU might not be getting sufficient power (seems unlikely, but not
 impossible).

 On 2020-06-15 17:36, ChimeraX wrote:
 }}}

--
Ticket URL: <https://plato.cgl.ucsf.edu/trac/ChimeraX/ticket/3394#comment:2>
ChimeraX <http://www.rbvi.ucsf.edu/chimerax/>
ChimeraX Issue Tracker

[Tristan Croll]

Great to hear it! Will go ahead and close this, since it seems most likely the root cause is some system issue outside of my control.