Task 38666672

Name test_465-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8796_0
Workunit 31609493
Created 25 Oct 2026, 4:20:35 UTC
Sent 25 Oct 2026, 4:56:18 UTC
Report deadline 30 Oct 2026, 4:56:18 UTC
Received 25 Oct 2026, 5:04:45 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652570
Run time 2 min 46 sec
CPU time 32 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,454.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 411.25 MB
Peak swap size 4.75 GB
Peak disk usage 2.84 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:01:30 (18648): wrapper (7.9.26016): starting
05:01:30 (18648): 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
05:01:32 (18648): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:01:32 (18648): 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 'E:\ProgramData\BOINC\slots\0\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 'E:\ProgramData\BOINC\slots\0\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 "E:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\0\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 "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "E:\ProgramData\BOINC\slots\0\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 "E:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
    self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
                   ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "E:\ProgramData\BOINC\slots\0\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_INVALID_VALUE (1) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
05:02:41 (18648): C:/Windows/system32/cmd.exe exited; CPU time 32.750000
05:02:41 (18648): app exit status: 0x16
05:02:41 (18648): 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: 974913 bytes.
Dumping objects ->
{3835181} normal block at 0x0000021788105CE0, 48 bytes long.
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{3835170} normal block at 0x00000217881065A0, 48 bytes long.
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{3835159} normal block at 0x0000021788105D50, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835148} normal block at 0x00000217881064C0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x00000217881059D0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835106} normal block at 0x0000021789D82E00, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835093} normal block at 0x00000217880D67F0, 8 bytes long.
 Data: <        > 00 00 0B 88 17 02 00 00 
{3833951} normal block at 0x00000217880D7420, 8 bytes long.
 Data: <&#192;E&#222;&#137;    > C0 45 DE 89 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000217880E1090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000217880C9030, 80 bytes long.
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{291} normal block at 0x00000217880E2580, 16 bytes long.
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{290} normal block at 0x00000217880E24E0, 16 bytes long.
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{289} normal block at 0x00000217880DD600, 32 bytes long.
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{288} normal block at 0x00000217880E2300, 16 bytes long.
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{287} normal block at 0x00000217880E2800, 16 bytes long.
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{286} normal block at 0x00000217880E2490, 16 bytes long.
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{285} normal block at 0x00000217880E2440, 16 bytes long.
 Data: <@7              > 40 37 0E 88 17 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000217880DB5D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000217880E2AD0, 16 bytes long.
 Data: <&#200;&#187;              > C8 BB 0C 88 17 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000217880DD2A0, 32 bytes long.
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{281} normal block at 0x00000217880E22B0, 16 bytes long.
 Data: <&#160;&#187;              > A0 BB 0C 88 17 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000217880E23F0, 16 bytes long.
 Data: <x&#187;              > 78 BB 0C 88 17 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000217880E28F0, 16 bytes long.
 Data: <P&#187;              > 50 BB 0C 88 17 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000217880E2A30, 16 bytes long.
 Data: <(&#187;              > 28 BB 0C 88 17 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000217880E2CB0, 16 bytes long.
 Data: < &#187;              > 00 BB 0C 88 17 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000217880E2530, 16 bytes long.
 Data: <&#216;&#186;              > D8 BA 0C 88 17 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000217880DCC40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000217880E27B0, 16 bytes long.
 Data: <&#176;&#186;              > B0 BA 0C 88 17 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000217880CBAB0, 320 bytes long.
 Data: <&#176;'      @&#204;      > B0 27 0E 88 17 02 00 00 40 CC 0D 88 17 02 00 00 
{271} normal block at 0x00000217880E2260, 16 bytes long.
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{270} normal block at 0x00000217880E2670, 16 bytes long.
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{269} normal block at 0x00000217880DD000, 32 bytes long.
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{268} normal block at 0x00000217880E2760, 16 bytes long.
 Data: <&#208;6              > D0 36 0E 88 17 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000217880DD3C0, 32 bytes long.
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{266} normal block at 0x00000217880E2210, 16 bytes long.
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{265} normal block at 0x00000217880E2D50, 16 bytes long.
 Data: <&#240;5              > F0 35 0E 88 17 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000217880E2FD0, 16 bytes long.
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{263} normal block at 0x00000217880E25D0, 16 bytes long.
 Data: <&#160;5              > A0 35 0E 88 17 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000217880E2F30, 16 bytes long.
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{261} normal block at 0x00000217880E2E90, 16 bytes long.
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{259} normal block at 0x00000217880E21C0, 16 bytes long.
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{258} normal block at 0x00000217880DB560, 40 bytes long.
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{257} normal block at 0x00000217880E28A0, 16 bytes long.
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{256} normal block at 0x00000217880E26C0, 16 bytes long.
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{255} normal block at 0x00000217880DC820, 32 bytes long.
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{254} normal block at 0x00000217880E2170, 16 bytes long.
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{253} normal block at 0x00000217880E34E0, 992 bytes long.
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{89} normal block at 0x00000217880DD420, 32 bytes long.
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{88} normal block at 0x00000217880D7240, 16 bytes long.
 Data: < &#184;              > 00 B8 0D 88 17 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000217880DB800, 40 bytes long.
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{66} normal block at 0x00000217880D65C0, 16 bytes long.
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{65} normal block at 0x00000217880D69D0, 16 bytes long.
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{64} normal block at 0x00000217880D73D0, 16 bytes long.
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{63} normal block at 0x00000217880D7330, 16 bytes long.
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{62} normal block at 0x00000217880D7470, 16 bytes long.
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{61} normal block at 0x00000217880D6A20, 16 bytes long.
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{60} normal block at 0x00000217880D6CF0, 16 bytes long.
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{59} normal block at 0x00000217880D6AC0, 16 bytes long.
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{58} normal block at 0x00000217880D6610, 16 bytes long.
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{57} normal block at 0x00000217880D74C0, 16 bytes long.
 Data: < &#192;l&#253;&#246;           > 18 C0 6C FD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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