Task 38656220

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND8511_0
Workunit 31599960
Created 24 Oct 2026, 10:25:46 UTC
Sent 24 Oct 2026, 10:27:51 UTC
Report deadline 29 Oct 2026, 10:27:51 UTC
Received 24 Oct 2026, 10:41:28 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 632214
Run time 3 min 29 sec
CPU time 53 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 486.19 MB
Peak swap size 6.34 GB
Peak disk usage 2.84 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
03:38:17 (45496): wrapper (7.9.26016): starting
03:38:17 (45496): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
03:38:19 (45496): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:38:19 (45496): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\7\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\7\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "C:\ProgramData\BOINC\slots\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
    self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
                               ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 251, in _openmm_worker_makecontext
    self.simulation = Simulation(self.topology, self.system, self.integrator, self.platform, self.platform_properties)
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
    self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
                   ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
    _openmm.Context_swiginit(self, _openmm.new_Context(*args))
                                   ^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error initializing CUDA: CUDA_ERROR_NO_DEVICE (100) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
03:39:43 (45496): C:/Windows/system32/cmd.exe exited; CPU time 53.453125
03:39:43 (45496): app exit status: 0x16
03:39:43 (45496): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 1396919 bytes.
Dumping objects ->
{3835198} normal block at 0x0000025662DF14F0, 48 bytes long.
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{3835187} normal block at 0x0000025662DF0AE0, 48 bytes long.
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{3835176} normal block at 0x0000025662DF1020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835165} normal block at 0x0000025662DF0CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000025662DF1330, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835123} normal block at 0x0000025662E9BD80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835110} normal block at 0x0000025661306E10, 8 bytes long.
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{3833951} normal block at 0x0000025661306B40, 8 bytes long.
 Data: <&#208;&#174;/aV   > D0 AE 2F 61 56 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000025661310780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000256612F5FA0, 80 bytes long.
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{291} normal block at 0x0000025661311C70, 16 bytes long.
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{290} normal block at 0x0000025661311C20, 16 bytes long.
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{289} normal block at 0x000002566130B8B0, 32 bytes long.
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{288} normal block at 0x0000025661312170, 16 bytes long.
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{287} normal block at 0x00000256613119A0, 16 bytes long.
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{286} normal block at 0x0000025661312080, 16 bytes long.
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{285} normal block at 0x0000025661311F90, 16 bytes long.
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{284} normal block at 0x000002566130D330, 48 bytes long.
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{283} normal block at 0x0000025661311950, 16 bytes long.
 Data: <8_/aV           > 38 5F 2F 61 56 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002566130B2B0, 32 bytes long.
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{281} normal block at 0x0000025661311B80, 16 bytes long.
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{279} normal block at 0x0000025661311900, 16 bytes long.
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{278} normal block at 0x0000025661312300, 16 bytes long.
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{277} normal block at 0x0000025661311860, 16 bytes long.
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{276} normal block at 0x0000025661312760, 16 bytes long.
 Data: <p^/aV           > 70 5E 2F 61 56 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025661311A90, 16 bytes long.
 Data: <H^/aV           > 48 5E 2F 61 56 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002566130B010, 32 bytes long.
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{273} normal block at 0x00000256613120D0, 16 bytes long.
 Data: < ^/aV           > 20 5E 2F 61 56 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000256612F5E20, 320 bytes long.
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{271} normal block at 0x0000025661312710, 16 bytes long.
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{270} normal block at 0x00000256613122B0, 16 bytes long.
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{269} normal block at 0x000002566130B910, 32 bytes long.
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{268} normal block at 0x00000256613126C0, 16 bytes long.
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{267} normal block at 0x000002566130B4F0, 32 bytes long.
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{266} normal block at 0x0000025661312670, 16 bytes long.
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{265} normal block at 0x00000256613121C0, 16 bytes long.
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{264} normal block at 0x00000256613118B0, 16 bytes long.
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{263} normal block at 0x0000025661312620, 16 bytes long.
 Data: <&#160;<1aV           > A0 3C 31 61 56 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025661311EA0, 16 bytes long.
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{261} normal block at 0x00000256613125D0, 16 bytes long.
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{259} normal block at 0x0000025661312530, 16 bytes long.
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{258} normal block at 0x000002566130D1E0, 40 bytes long.
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{257} normal block at 0x00000256613124E0, 16 bytes long.
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{256} normal block at 0x0000025661312490, 16 bytes long.
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{255} normal block at 0x000002566130AEF0, 32 bytes long.
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{254} normal block at 0x00000256613123F0, 16 bytes long.
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{253} normal block at 0x0000025661313BE0, 992 bytes long.
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{89} normal block at 0x000002566130BCD0, 32 bytes long.
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{88} normal block at 0x0000025661306730, 16 bytes long.
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{87} normal block at 0x000002566130CD80, 40 bytes long.
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{66} normal block at 0x0000025661306F50, 16 bytes long.
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{65} normal block at 0x00000256613060F0, 16 bytes long.
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{64} normal block at 0x0000025661306EB0, 16 bytes long.
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{63} normal block at 0x00000256613060A0, 16 bytes long.
 Data: <&#216;WI &#246;           > D8 57 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025661306690, 16 bytes long.
 Data: <P I &#246;           > 50 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025661306BE0, 16 bytes long.
 Data: <0 I &#246;           > 30 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025661306820, 16 bytes long.
 Data: <&#224; I &#246;           > E0 02 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025661306D70, 16 bytes long.
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{58} normal block at 0x00000256613061E0, 16 bytes long.
 Data: <p I &#246;           > 70 04 49 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025661306AF0, 16 bytes long.
 Data: < &#192;G &#246;           > 18 C0 47 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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