OpenMM: Error initializing context: clGetPlatformIDs

[r.caliebe@…]

The following bug report has been submitted:
Platform:        Windows-10-10.0.18362
ChimeraX Version: 0.93 (2020-04-03)
Description
Exception: Error initializing context: clGetPlatformIDs (-1001)

File "C:\Program Files\ChimeraX\bin\lib\site-packages\simtk\openmm\openmm.py", line 6265, in __init__
this = _openmm.new_Context(*args)


Log:
Startup Messages  
---  
warning | 'clip' is a prefix of an existing command 'clipper'  
  
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 1a0m structureFactors true

Summary of feedback from opening 1a0m fetched from pdb  
---  
warning | No free flags detected in this dataset! Automatically generated a
new random set with 463 free from 9265 observed reflections. You should save
your data to a new MTZ file and use this for any future rebuilding/refinement.  
notes | Fetching compressed mmCIF 1a0m from
http://files.rcsb.org/download/1a0m.cif  
Fetching compressed 1a0m structure factors from
http://files.rcsb.org/download/1a0m-sf.cif  
Resolution: 1.0944213038232702  
  
1a0m title:  
1.1 angstrom crystal structure of A-conotoxin [TYR15]-epi [more info...]  
  
Chain information for 1a0m  
---  
Chain | Description  
1.2/A 1.2/B | α-conotoxin [TYR15]-epi  
  
Non-standard residues in 1a0m #1.2  
---  
NH2 — amino group  
  
  

> save C:\Users\rcali/Desktop/1a0m.mtz #1

Writing data to: '/*/*/[FOBS, SIGFOBS]'  

> set bgColor white

> clipper isolate #1/A&protein

> rama showFavored false

> rama showFavored true

> isolde restrain ligands #1

> addh

Summary of feedback from adding hydrogens to 1a0m #1.2  
---  
warning | Not adding hydrogens to /A ARG 7 CB because it is missing heavy-atom
bond partners  
notes | Termini for 1a0m (#1.2) chain A determined from SEQRES records  
Termini for 1a0m (#1.2) chain B determined from SEQRES records  
Chain-initial residues that are actual N termini: /A GLY 1, /B GLY 1  
Chain-initial residues that are not actual N termini:  
Chain-final residues that are actual C termini: /A NH2 17, /B NH2 17  
Chain-final residues that are not actual C termini:  
107 hydrogen bonds  
271 hydrogens added  
  

> hide HC

> select #1

547 atoms, 513 bonds, 26 models selected  
Traceback (most recent call last):  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\isolde.py", line 2679, in _start_sim_or_toggle_pause  
self.start_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\isolde.py", line 2709, in start_sim  
sm.start_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 667, in start_sim  
sh.start_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 1570, in start_sim  
self._prepare_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 1531, in
_prepare_sim  
integrator, platform, properties)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\simtk\openmm\app\simulation.py", line 105, in __init__  
self.context = mm.Context(self.system, self.integrator, platform,
platformProperties)  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\simtk\openmm\openmm.py",
line 6265, in __init__  
this = _openmm.new_Context(*args)  
Exception: Error initializing context: clGetPlatformIDs (-1001)  
  
Exception: Error initializing context: clGetPlatformIDs (-1001)  
  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\simtk\openmm\openmm.py",
line 6265, in __init__  
this = _openmm.new_Context(*args)  
  
See log for complete Python traceback.  
  

> isolde sim stop sel

Atoms argument is not required for this command. Ignored.  

No simulation is currently running!  

> select #1

547 atoms, 513 bonds, 30 models selected  

> isolde sim start sel

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\ui\gui.py",
line 601, in customEvent  
func(*args, **kw)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 429, in defer  
cxcmd(session, topic)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 445, in cxcmd  
run(session, cmd)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 31, in run  
results = command.run(text, log=log)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2848, in run  
result = ci.function(session, **kw_args)  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\cmd.py", line 88, in isolde_sim  
isolde.start_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\isolde.py", line 2709, in start_sim  
sm.start_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 667, in start_sim  
sh.start_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 1570, in start_sim  
self._prepare_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 1531, in
_prepare_sim  
integrator, platform, properties)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\simtk\openmm\app\simulation.py", line 105, in __init__  
self.context = mm.Context(self.system, self.integrator, platform,
platformProperties)  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\simtk\openmm\openmm.py",
line 6265, in __init__  
this = _openmm.new_Context(*args)  
Exception: Error initializing context: clGetPlatformIDs (-1001)  
  
Exception: Error initializing context: clGetPlatformIDs (-1001)  
  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\simtk\openmm\openmm.py",
line 6265, in __init__  
this = _openmm.new_Context(*args)  
  
See log for complete Python traceback.  
  

> select #1

547 atoms, 513 bonds, 30 models selected  

> isolde sim start sel

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\ui\gui.py",
line 601, in customEvent  
func(*args, **kw)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 429, in defer  
cxcmd(session, topic)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 445, in cxcmd  
run(session, cmd)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 31, in run  
results = command.run(text, log=log)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2848, in run  
result = ci.function(session, **kw_args)  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\cmd.py", line 88, in isolde_sim  
isolde.start_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\isolde.py", line 2709, in start_sim  
sm.start_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 667, in start_sim  
sh.start_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 1570, in start_sim  
self._prepare_sim()  
File "C:\Users\rcali\AppData\Local\UCSF\ChimeraX\0.93\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 1531, in
_prepare_sim  
integrator, platform, properties)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\simtk\openmm\app\simulation.py", line 105, in __init__  
self.context = mm.Context(self.system, self.integrator, platform,
platformProperties)  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\simtk\openmm\openmm.py",
line 6265, in __init__  
this = _openmm.new_Context(*args)  
Exception: Error initializing context: clGetPlatformIDs (-1001)  
  
Exception: Error initializing context: clGetPlatformIDs (-1001)  
  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\simtk\openmm\openmm.py",
line 6265, in __init__  
this = _openmm.new_Context(*args)  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.13543 Core Profile Forward-Compatible Context 25.20.15006.9
OpenGL renderer: Radeon RX Vega M GL Graphics
OpenGL vendor: ATI Technologies Inc.
Manufacturer: Intel(R) Client Systems
Model: NUC8i7HNK
OS: Microsoft Windows 10 Pro (Build 18363)
Memory: 34,274,414,592
MaxProcessMemory: 137,438,953,344
CPU: 8 Intel(R) Core(TM) i7-8705G CPU @ 3.10GHz"

[Eric Pettersen]

Reported by Reinhard Caliebe

[Tristan Croll]

This typically means your GPU's OpenCL driver either isn't installed or 
isn't properly configured. I'm afraid I don't have any experience in 
debugging Radeon issues in Windows - don't own any myself.

On 2020-05-04 17:05, ChimeraX wrote: