Task 38662067

Name test_1922-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND4080_1
Workunit 31603646
Created 24 Oct 2026, 17:17:02 UTC
Sent 24 Oct 2026, 17:30:09 UTC
Report deadline 29 Oct 2026, 17:30:09 UTC
Received 24 Oct 2026, 17:58:17 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 654777
Run time 1 min 59 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 53.66 MB
Peak swap size 38.82 MB
Peak disk usage 4.00 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>
18:56:30 (18080): wrapper (7.9.26016): starting
18:56:30 (18080): 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
18:56:32 (18080): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:56:32 (18080): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001745BEA8F90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001745BF6CA50>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001745BF6D2D0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001745BF6DB90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001745BF6E490>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml==26.2.1 (from versions: none)
ERROR: No matching distribution found for pyaml==26.2.1
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000139ABA49450>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000139ABA4A1D0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000139ABA4AB10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
  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.
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 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 51, in __init__
    self.keywords = parse_config(self.command_file)
                    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\utils\config.py", line 83, in parse_config
    import yaml
ModuleNotFoundError: No module named 'yaml'
18:57:10 (18080): C:/Windows/system32/cmd.exe exited; CPU time 2.890625
18:57:10 (18080): app exit status: 0x16
18:57:10 (18080): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 601325 bytes.
Dumping objects ->
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{3835225} normal block at 0x0000025F418AC5E0, 48 bytes long.
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{3835214} normal block at 0x0000025F418ACD50, 48 bytes long.
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{3835203} normal block at 0x0000025F3FC04B00, 48 bytes long.
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{3835192} normal block at 0x0000025F3FC04A20, 48 bytes long.
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{3835161} normal block at 0x0000025F418F3D00, 64 bytes long.
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{3835150} normal block at 0x0000025F3FC5B6F0, 141 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) : {3835147} normal block at 0x0000025F3FBFF3A0, 8 bytes long.
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{3834546} normal block at 0x0000025F3FC5B210, 141 bytes long.
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{3833961} normal block at 0x0000025F3FBFF5D0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025F3FC007E0, 260 bytes long.
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{297} normal block at 0x0000025F3FBEEE20, 80 bytes long.
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{294} normal block at 0x0000025F3FBFFB70, 32 bytes long.
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{293} normal block at 0x0000025F3FC05F40, 16 bytes long.
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{292} normal block at 0x0000025F3FC05AE0, 16 bytes long.
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{291} normal block at 0x0000025F3FC056D0, 16 bytes long.
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{290} normal block at 0x0000025F3FC05A90, 16 bytes long.
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{289} normal block at 0x0000025F3FC04780, 48 bytes long.
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{288} normal block at 0x0000025F3FC059F0, 16 bytes long.
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{287} normal block at 0x0000025F3FC00350, 32 bytes long.
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{286} normal block at 0x0000025F3FC05EF0, 16 bytes long.
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{284} normal block at 0x0000025F3FC059A0, 16 bytes long.
 Data: <h &#191;?_           > 68 8D BF 3F 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025F3FC05860, 16 bytes long.
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{282} normal block at 0x0000025F3FC06080, 16 bytes long.
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{281} normal block at 0x0000025F3FC05D10, 16 bytes long.
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{280} normal block at 0x0000025F3FC05680, 16 bytes long.
 Data: <&#200;&#140;&#191;?_           > C8 8C BF 3F 5F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025F3FBFF8D0, 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 0x0000025F3FC05EA0, 16 bytes long.
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{277} normal block at 0x0000025F3FBF8CA0, 320 bytes long.
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{276} normal block at 0x0000025F3FC052C0, 16 bytes long.
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{275} normal block at 0x0000025F3FC05540, 16 bytes long.
 Data: <&#168;c&#192;?_           > A8 63 C0 3F 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025F3FC002F0, 32 bytes long.
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{273} normal block at 0x0000025F3FC05630, 16 bytes long.
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{272} normal block at 0x0000025F3FC00290, 32 bytes long.
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{271} normal block at 0x0000025F3FC055E0, 16 bytes long.
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{270} normal block at 0x0000025F3FC05B80, 16 bytes long.
 Data: <&#160;b&#192;?_           > A0 62 C0 3F 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025F3FC05A40, 16 bytes long.
 Data: <xb&#192;?_           > 78 62 C0 3F 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025F3FC05CC0, 16 bytes long.
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{260} normal block at 0x0000025F3FBFFCF0, 32 bytes long.
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{259} normal block at 0x0000025F3FC05950, 16 bytes long.
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{258} normal block at 0x0000025F3FC06190, 992 bytes long.
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{94} normal block at 0x0000025F3FC001D0, 32 bytes long.
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{93} normal block at 0x0000025F3FBFEDB0, 16 bytes long.
 Data: <PL&#192;?_           > 50 4C C0 3F 5F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000025F3FC04C50, 40 bytes long.
 Data: <&#176;&#237;&#191;?_   &#208; &#192;?_   > B0 ED BF 3F 5F 02 00 00 D0 01 C0 3F 5F 02 00 00 
{71} normal block at 0x0000025F3FBFF080, 16 bytes long.
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{70} normal block at 0x0000025F3FBFF170, 16 bytes long.
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{69} normal block at 0x0000025F3FBFEF90, 16 bytes long.
 Data: <&#248;W&#212; &#246;           > F8 57 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025F3FBFEA90, 16 bytes long.
 Data: <&#216;W&#212; &#246;           > D8 57 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025F3FBFF1C0, 16 bytes long.
 Data: <P &#212; &#246;           > 50 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025F3FBFF4E0, 16 bytes long.
 Data: <0 &#212; &#246;           > 30 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025F3FBFED60, 16 bytes long.
 Data: <&#224; &#212; &#246;           > E0 02 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025F3FBFF260, 16 bytes long.
 Data: <  &#212; &#246;           > 10 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025F3FBFF210, 16 bytes long.
 Data: <p &#212; &#246;           > 70 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025F3FBFED10, 16 bytes long.
 Data: < &#192;&#210; &#246;           > 18 C0 D2 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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