Task 38616328

Name HIF2A_2_A18_A22_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a_2-1-6-RND6695_0
Workunit 31568262
Created 17 Apr 2026, 19:49:10 UTC
Sent 17 Apr 2026, 19:49:52 UTC
Report deadline 22 Apr 2026, 19:49:52 UTC
Received 17 Apr 2026, 20:04:39 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 607118
Run time 1 min 19 sec
CPU time 18 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,692.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 201.75 MB
Peak swap size 9.04 GB
Peak disk usage 2.78 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
22:56:58 (8452): wrapper (7.9.26016): starting
22:56:58 (8452): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A22_0.pdb
QB_A18_A22_0.xml
QB_A18_A22.inpcrd
QB_A18_A22_input.yaml
QB_A18_A22.pdb
QB_A18_A22.prmtop
QB_A18_A22_sys.xml
run.bat
run.sh
22:57:03 (8452): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:57:03 (8452): 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\14\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\14\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\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\14\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\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\14\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\14\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\14\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
22:57:48 (8452): C:/Windows/system32/cmd.exe exited; CPU time 18.078125
22:57:48 (8452): app exit status: 0x16
22:57:48 (8452): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 531979 bytes.
Dumping objects ->
{3835309} normal block at 0x00000249445A0B50, 48 bytes long.
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{3835298} normal block at 0x00000249445A1100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x00000249445A12C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835276} normal block at 0x00000249445A1410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x00000249445A0BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835234} normal block at 0x000002494464B140, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000249446F0490, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835220} normal block at 0x00000249429B67B0, 8 bytes long.
 Data: <  &#151;BI   > 00 00 97 42 49 02 00 00 
{3834574} normal block at 0x00000249446F0760, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000249429B6C60, 8 bytes long.
 Data: <&#224; &#156;BI   > E0 1E 9C 42 49 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000249429C1330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000249429A5BE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000249429C25A0, 16 bytes long.
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{288} normal block at 0x00000249429C27D0, 16 bytes long.
 Data: <&#128;6&#156;BI           > 80 36 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000249429BD8F0, 32 bytes long.
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{286} normal block at 0x00000249429C2500, 16 bytes long.
 Data: <X6&#156;BI           > 58 36 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000249429C3310, 16 bytes long.
 Data: <06&#156;BI           > 30 36 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000249429C3270, 16 bytes long.
 Data: < 6&#156;BI           > 08 36 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000249429C2F50, 16 bytes long.
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{282} normal block at 0x00000249429BE650, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000249429C2B40, 16 bytes long.
 Data: <x[&#154;BI           > 78 5B 9A 42 49 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000249429BD470, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000249429C2E10, 16 bytes long.
 Data: <P[&#154;BI           > 50 5B 9A 42 49 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000249429C2DC0, 16 bytes long.
 Data: <([&#154;BI           > 28 5B 9A 42 49 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000249429C2F00, 16 bytes long.
 Data: < [&#154;BI           > 00 5B 9A 42 49 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000249429C31D0, 16 bytes long.
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{274} normal block at 0x00000249429C2BE0, 16 bytes long.
 Data: <&#176;Z&#154;BI           > B0 5A 9A 42 49 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000249429C2AF0, 16 bytes long.
 Data: < Z&#154;BI           > 88 5A 9A 42 49 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000249429BE190, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000249429C3130, 16 bytes long.
 Data: <`Z&#154;BI           > 60 5A 9A 42 49 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000249429A5A60, 320 bytes long.
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{269} normal block at 0x00000249429C2910, 16 bytes long.
 Data: <&#192;5&#156;BI           > C0 35 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000249429C26E0, 16 bytes long.
 Data: < 5&#156;BI           > 98 35 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000249429BDC50, 32 bytes long.
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{266} normal block at 0x00000249429C2AA0, 16 bytes long.
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{265} normal block at 0x00000249429BD710, 32 bytes long.
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{264} normal block at 0x00000249429C2E60, 16 bytes long.
 Data: <&#184;4&#156;BI           > B8 34 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000249429C2460, 16 bytes long.
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{262} normal block at 0x00000249429C2550, 16 bytes long.
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{261} normal block at 0x00000249429C24B0, 16 bytes long.
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{260} normal block at 0x00000249429C2D20, 16 bytes long.
 Data: < 4&#156;BI           > 18 34 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000249429C3220, 16 bytes long.
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{257} normal block at 0x00000249429C32C0, 16 bytes long.
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{256} normal block at 0x00000249429BE7A0, 40 bytes long.
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{255} normal block at 0x00000249429C3040, 16 bytes long.
 Data: <&#208;3&#156;BI           > D0 33 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000249429C2A50, 16 bytes long.
 Data: <&#168;3&#156;BI           > A8 33 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000249429BDDD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000249429C2820, 16 bytes long.
 Data: <&#128;3&#156;BI           > 80 33 9C 42 49 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000249429C3380, 992 bytes long.
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{87} normal block at 0x00000249429BD4D0, 32 bytes long.
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{86} normal block at 0x00000249429B6FD0, 16 bytes long.
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{85} normal block at 0x00000249429BE570, 40 bytes long.
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{64} normal block at 0x00000249429B6F30, 16 bytes long.
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{63} normal block at 0x00000249429B63F0, 16 bytes long.
 Data: <@&#233;,'&#246;           > 40 E9 2C 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000249429B6E40, 16 bytes long.
 Data: <&#248;W)'&#246;           > F8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000249429B6AD0, 16 bytes long.
 Data: <&#216;W)'&#246;           > D8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000249429B7070, 16 bytes long.
 Data: <P )'&#246;           > 50 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000249429B7160, 16 bytes long.
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{58} normal block at 0x00000249429B69E0, 16 bytes long.
 Data: <&#224; )'&#246;           > E0 02 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000249429B6A80, 16 bytes long.
 Data: <  )'&#246;           > 10 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000249429B65D0, 16 bytes long.
 Data: <p )'&#246;           > 70 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000249429B6E90, 16 bytes long.
 Data: < &#192;''&#246;           > 18 C0 27 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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