Task 38628214

Name cdk8_A31_A19_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND0011_2
Workunit 31577429
Created 24 Apr 2026, 16:56:35 UTC
Sent 24 Apr 2026, 16:56:41 UTC
Report deadline 29 Apr 2026, 16:56:41 UTC
Received 24 Apr 2026, 16:59:17 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652220
Run time 1 min 14 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 4,511.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 327.49 MB
Peak swap size 7.67 GB
Peak disk usage 1.52 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
System operacyjny nie mo�e uruchomi� (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:57:39 (23504): wrapper (7.9.26016): starting
18:57:39 (23504): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A19.inpcrd
QB_A31_A19_input.yaml
QB_A31_A19.pdb
QB_A31_A19.prmtop
QB_A31_A19_sys.xml
run.bat
run.sh
18:57:40 (23504): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:57:40 (23504): 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\12\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\12\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\12\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
    self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
    self.simulation.loadState(self.basename + "_0.xml")
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\app\simulation.py", line 359, in loadState
    with open(file, 'r') as f:
         ^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A31_A19_0.xml'
18:58:00 (23504): C:/Windows/system32/cmd.exe exited; CPU time 1.468750
18:58:00 (23504): app exit status: 0x16
18:58:00 (23504): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 392289 bytes.
Dumping objects ->
{3835276} normal block at 0x0000021E5C6AA170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000021E5C6A93E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000021E5C6A9A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x0000021E5C6A95A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000021E5C6A9760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x0000021E5E475C80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000021E5C6DF040, 140 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) : {3835187} normal block at 0x0000021E5C67E040, 8 bytes long.
 Data: <  &#203;\    > 00 00 CB 5C 1E 02 00 00 
{3834573} normal block at 0x0000021E5C6DF110, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000021E5C67D910, 8 bytes long.
 Data: <@&#233;u\    > 40 E9 75 5C 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021E5C671D40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021E5C672800, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000021E5C686700, 16 bytes long.
 Data: < rh\            > 18 72 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021E5C686B60, 16 bytes long.
 Data: <&#240;qh\            > F0 71 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021E5C680670, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000021E5C6862F0, 16 bytes long.
 Data: <&#200;qh\            > C8 71 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021E5C6863E0, 16 bytes long.
 Data: <&#160;qh\            > A0 71 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021E5C6861B0, 16 bytes long.
 Data: <xqh\            > 78 71 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021E5C686B10, 16 bytes long.
 Data: <Pqh\            > 50 71 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021E5C6826E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000021E5C686A70, 16 bytes long.
 Data: <h h\            > 68 1A 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021E5C67F8F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000021E5C686570, 16 bytes long.
 Data: <@ h\            > 40 1A 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021E5C6866B0, 16 bytes long.
 Data: <  h\            > 18 1A 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021E5C686660, 16 bytes long.
 Data: <&#240; h\            > F0 19 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021E5C686610, 16 bytes long.
 Data: <&#200; h\            > C8 19 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E5C686840, 16 bytes long.
 Data: <&#160; h\            > A0 19 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021E5C6867F0, 16 bytes long.
 Data: <x h\            > 78 19 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E5C67FA10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000021E5C686340, 16 bytes long.
 Data: <P h\            > 50 19 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021E5C681950, 320 bytes long.
 Data: <@ch\     &#250;g\    > 40 63 68 5C 1E 02 00 00 10 FA 67 5C 1E 02 00 00 
{279} normal block at 0x0000021E5C6865C0, 16 bytes long.
 Data: <0qh\            > 30 71 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021E5C686E80, 16 bytes long.
 Data: < qh\            > 08 71 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021E5C67FB90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000021E5C686110, 16 bytes long.
 Data: <&#224;ph\            > E0 70 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021E5C6801F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000021E5C686AC0, 16 bytes long.
 Data: <(ph\            > 28 70 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021E5C686D90, 16 bytes long.
 Data: < ph\            > 00 70 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E5C686D40, 16 bytes long.
 Data: <&#216;oh\            > D8 6F 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021E5C686890, 16 bytes long.
 Data: <&#176;oh\            > B0 6F 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021E5C6864D0, 16 bytes long.
 Data: < oh\            > 88 6F 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E5C686A20, 16 bytes long.
 Data: <`oh\            > 60 6F 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E5C6868E0, 16 bytes long.
 Data: <&#240;"h\            > F0 22 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021E5C6822F0, 40 bytes long.
 Data: <&#224;hh\     \G^    > E0 68 68 5C 1E 02 00 00 80 5C 47 5E 1E 02 00 00 
{265} normal block at 0x0000021E5C686CF0, 16 bytes long.
 Data: <@oh\            > 40 6F 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021E5C686750, 16 bytes long.
 Data: < oh\            > 18 6F 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021E5C67FD10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000021E5C686E30, 16 bytes long.
 Data: <&#240;nh\            > F0 6E 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021E5C686EF0, 992 bytes long.
 Data: <0nh\     &#253;g\    > 30 6E 68 5C 1E 02 00 00 10 FD 67 5C 1E 02 00 00 
{97} normal block at 0x0000021E5C67FCB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000021E5C67E400, 16 bytes long.
 Data: < "h\            > 80 22 68 5C 1E 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000021E5C682280, 40 bytes long.
 Data: < &#228;g\    &#176;&#252;g\    > 00 E4 67 5C 1E 02 00 00 B0 FC 67 5C 1E 02 00 00 
{74} normal block at 0x0000021E5C67DD20, 16 bytes long.
 Data: < &#234;&#137;&#252;&#247;           > 80 EA 89 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021E5C67E2C0, 16 bytes long.
 Data: <@&#233;&#137;&#252;&#247;           > 40 E9 89 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021E5C67D730, 16 bytes long.
 Data: <&#248;W&#134;&#252;&#247;           > F8 57 86 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021E5C67DCD0, 16 bytes long.
 Data: <&#216;W&#134;&#252;&#247;           > D8 57 86 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021E5C67DC80, 16 bytes long.
 Data: <P &#134;&#252;&#247;           > 50 04 86 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021E5C67DE10, 16 bytes long.
 Data: <0 &#134;&#252;&#247;           > 30 04 86 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021E5C67DFA0, 16 bytes long.
 Data: <&#224; &#134;&#252;&#247;           > E0 02 86 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021E5C67DF50, 16 bytes long.
 Data: <  &#134;&#252;&#247;           > 10 04 86 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021E5C67D8C0, 16 bytes long.
 Data: <p &#134;&#252;&#247;           > 70 04 86 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021E5C67DBE0, 16 bytes long.
 Data: < &#192;&#132;&#252;&#247;           > 18 C0 84 FC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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