Task 38693411

Name	test_682-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5687_0
Workunit	31634223
Created	30 Oct 2026, 10:23:25 UTC
Sent	30 Oct 2026, 10:23:27 UTC
Report deadline	4 Nov 2026, 10:23:27 UTC
Received	3 Nov 2026, 20:02:14 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	613613
Run time	10 min 34 sec
CPU time	7 min 8 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	18,251.30 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	721.28 MB
Peak swap size	8.42 GB
Peak disk usage	3.03 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>
10:04:19 (40488): wrapper (7.9.26016): starting
10:04:19 (40488): 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
10:04:22 (40488): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:04:22 (40488): 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\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 'C:\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835378} normal block at 0x000001309375E840, 8 bytes long.
 Data: <    0   > 00 00 E0 93 30 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000013093764C20, 1080 bytes long.
 Data: <,J              > 2C 4A 00 00 CD CD CD CD 18 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000130937624D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
13:04:21 (35452): wrapper (7.9.26016): starting
13:04:21 (35452): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\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 "C:\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 "C:\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
13:05:04 (35452): C:/Windows/system32/cmd.exe exited; CPU time 33.703125
13:05:04 (35452): app exit status: 0x16
13:05:04 (35452): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 901888 bytes.
Dumping objects ->
{1812} normal block at 0x000001B112F46B30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1801} normal block at 0x000001B112F469E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1790} normal block at 0x000001B112F46900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1779} normal block at 0x000001B112F46890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1768} normal block at 0x000001B112F46AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1737} normal block at 0x000001B112F2F9A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1726} normal block at 0x000001B112F2BC00, 102 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) : {1723} normal block at 0x000001B112F47580, 8 bytes long.
 Data: <  @     > 00 00 40 13 B1 01 00 00 
{1001} normal block at 0x000001B112F2E5F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{306} normal block at 0x000001B112F46FE0, 8 bytes long.
 Data: <        > E0 81 F4 12 B1 01 00 00 
{297} normal block at 0x000001B112F37E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B112F478F0, 16 bytes long.
 Data: <                > E8 80 F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B112F46E50, 16 bytes long.
 Data: <                > C0 80 F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B112F40F20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B112F47AD0, 16 bytes long.
 Data: <                > 98 80 F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B112F47800, 16 bytes long.
 Data: <p               > 70 80 F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B112F477B0, 16 bytes long.
 Data: <H               > 48 80 F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B112F47170, 16 bytes long.
 Data: <                > 20 80 F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B112F465F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B112F47760, 16 bytes long.
 Data: <                > 98 BB F2 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B112F41040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B112F478A0, 16 bytes long.
 Data: <p               > 70 BB F2 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B112F46F90, 16 bytes long.
 Data: <H               > 48 BB F2 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B112F47C10, 16 bytes long.
 Data: <                > 20 BB F2 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B112F47210, 16 bytes long.
 Data: <                > F8 BA F2 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B112F47D50, 16 bytes long.
 Data: <                > D0 BA F2 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B112F47A80, 16 bytes long.
 Data: <                > A8 BA F2 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B112F41520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B112F47710, 16 bytes long.
 Data: <                > 80 BA F2 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B112F2BA80, 320 bytes long.
 Data: < w              > 10 77 F4 12 B1 01 00 00 20 15 F4 12 B1 01 00 00 
{276} normal block at 0x000001B112F47440, 16 bytes long.
 Data: <                > 00 80 F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B112F47940, 16 bytes long.
 Data: <                > D8 7F F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B112F40DA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B112F47C60, 16 bytes long.
 Data: <                > B0 7F F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B112F40F80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B112F46EA0, 16 bytes long.
 Data: < ~              > F8 7E F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B112F47850, 16 bytes long.
 Data: < ~              > D0 7E F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B112F47120, 16 bytes long.
 Data: < ~              > A8 7E F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B112F476C0, 16 bytes long.
 Data: < ~              > 80 7E F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B112F47D00, 16 bytes long.
 Data: <X~              > 58 7E F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B112F47B70, 16 bytes long.
 Data: <0~              > 30 7E F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B112F47670, 16 bytes long.
 Data: <@g              > 40 67 F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B112F46740, 40 bytes long.
 Data: <pv              > 70 76 F4 12 B1 01 00 00 A0 F9 F2 12 B1 01 00 00 
{262} normal block at 0x000001B112F47620, 16 bytes long.
 Data: < ~              > 10 7E F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B112F46F40, 16 bytes long.
 Data: < }              > E8 7D F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B112F40B60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B112F470D0, 16 bytes long.
 Data: < }              > C0 7D F4 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B112F47DC0, 992 bytes long.
 Data: < p      `       > D0 70 F4 12 B1 01 00 00 60 0B F4 12 B1 01 00 00 
{94} normal block at 0x000001B112F419A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B112F3EC00, 16 bytes long.
 Data: <                > E0 F3 F2 12 B1 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B112F2F3E0, 40 bytes long.
 Data: <                > 00 EC F3 12 B1 01 00 00 A0 19 F4 12 B1 01 00 00 
{71} normal block at 0x000001B112F3F920, 16 bytes long.
 Data: <   I            > 80 EA 8F 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B112F3F560, 16 bytes long.
 Data: <@  I            > 40 E9 8F 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B112F3F3D0, 16 bytes long.
 Data: < W I            > F8 57 8C 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B112F3EA70, 16 bytes long.
 Data: < W I            > D8 57 8C 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B112F3F380, 16 bytes long.
 Data: <P  I            > 50 04 8C 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B112F3F1A0, 16 bytes long.
 Data: <0  I            > 30 04 8C 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B112F3F0B0, 16 bytes long.
 Data: <   I            > E0 02 8C 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B112F3F240, 16 bytes long.
 Data: <   I            > 10 04 8C 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B112F3F060, 16 bytes long.
 Data: <p  I            > 70 04 8C 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B112F3F650, 16 bytes long.
 Data: <   I            > 18 C0 8A 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>