Task 38628475

Name cdk8_A31_A19_r0_1-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND0149_4
Workunit 31577426
Created 24 Apr 2026, 19:08:42 UTC
Sent 24 Apr 2026, 19:09:02 UTC
Report deadline 29 Apr 2026, 19:09:02 UTC
Received 24 Apr 2026, 19:11:56 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 13 sec
CPU time 11 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 237.78 MB
Peak swap size 7.57 GB
Peak disk usage 1.44 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>
21:10:03 (26784): wrapper (7.9.26016): starting
21:10:03 (26784): 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
21:10:04 (26784): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:10:04 (26784): 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\9\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\9\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\9\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\9\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\9\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\9\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\9\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'
21:10:25 (26784): C:/Windows/system32/cmd.exe exited; CPU time 11.796875
21:10:25 (26784): app exit status: 0x16
21:10:25 (26784): 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: 559153 bytes.
Dumping objects ->
{3835276} normal block at 0x00000277FE3FA1C0, 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 0x00000277FE3FA000, 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 0x00000277FE3FA380, 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 0x00000277FE3FA3F0, 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 0x00000277FE3F9B30, 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 0x00000277800EADC0, 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 0x00000277FE42EB20, 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 0x00000277FE3CDD20, 8 bytes long.
 Data: <  |&#254;w   > 00 00 7C FE 77 02 00 00 
{3834573} normal block at 0x00000277FE42F270, 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 0x00000277FE3CDC30, 8 bytes long.
 Data: < &#222;;&#254;w   > 10 DE 3B FE 77 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000277FE3C1D40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000277FE3C20B0, 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 0x00000277FE3D68F0, 16 bytes long.
 Data: <&#232;u=&#254;w           > E8 75 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000277FE3D7200, 16 bytes long.
 Data: <&#192;u=&#254;w           > C0 75 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000277FE3D09D0, 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 0x00000277FE3D6530, 16 bytes long.
 Data: < u=&#254;w           > 98 75 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000277FE3D6800, 16 bytes long.
 Data: <pu=&#254;w           > 70 75 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000277FE3D7110, 16 bytes long.
 Data: <Hu=&#254;w           > 48 75 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000277FE3D67B0, 16 bytes long.
 Data: < u=&#254;w           > 20 75 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000277FE3D2640, 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 0x00000277FE3D6A80, 16 bytes long.
 Data: <H <&#254;w           > 48 0E 3C FE 77 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000277FE3D0EB0, 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 0x00000277FE3D65D0, 16 bytes long.
 Data: <  <&#254;w           > 20 0E 3C FE 77 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000277FE3D6710, 16 bytes long.
 Data: <&#248; <&#254;w           > F8 0D 3C FE 77 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000277FE3D6F80, 16 bytes long.
 Data: <&#208; <&#254;w           > D0 0D 3C FE 77 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000277FE3D6E90, 16 bytes long.
 Data: <&#168; <&#254;w           > A8 0D 3C FE 77 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000277FE3D6DF0, 16 bytes long.
 Data: <  <&#254;w           > 80 0D 3C FE 77 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000277FE3D7070, 16 bytes long.
 Data: <X <&#254;w           > 58 0D 3C FE 77 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000277FE3D0C70, 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 0x00000277FE3D6B20, 16 bytes long.
 Data: <0 <&#254;w           > 30 0D 3C FE 77 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000277FE3C0D30, 320 bytes long.
 Data: < k=&#254;w   p =&#254;w   > 20 6B 3D FE 77 02 00 00 70 0C 3D FE 77 02 00 00 
{279} normal block at 0x00000277FE3D64E0, 16 bytes long.
 Data: < u=&#254;w           > 00 75 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000277FE3D6DA0, 16 bytes long.
 Data: <&#216;t=&#254;w           > D8 74 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000277FE3D0850, 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 0x00000277FE3D6760, 16 bytes long.
 Data: <&#176;t=&#254;w           > B0 74 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000277FE3D0970, 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 0x00000277FE3D71B0, 16 bytes long.
 Data: <&#248;s=&#254;w           > F8 73 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000277FE3D6C10, 16 bytes long.
 Data: <&#208;s=&#254;w           > D0 73 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000277FE3D6A30, 16 bytes long.
 Data: <&#168;s=&#254;w           > A8 73 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000277FE3D66C0, 16 bytes long.
 Data: < s=&#254;w           > 80 73 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000277FE3D6D50, 16 bytes long.
 Data: <Xs=&#254;w           > 58 73 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000277FE3D6990, 16 bytes long.
 Data: <0s=&#254;w           > 30 73 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000277FE3D6E40, 16 bytes long.
 Data: <  =&#254;w           > 20 20 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000277FE3D2020, 40 bytes long.
 Data: <@n=&#254;w   &#192;&#173;  w   > 40 6E 3D FE 77 02 00 00 C0 AD 0E 80 77 02 00 00 
{265} normal block at 0x00000277FE3D6EE0, 16 bytes long.
 Data: < s=&#254;w           > 10 73 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000277FE3D6CB0, 16 bytes long.
 Data: <&#232;r=&#254;w           > E8 72 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000277FE3D0670, 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 0x00000277FE3D6580, 16 bytes long.
 Data: <&#192;r=&#254;w           > C0 72 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000277FE3D72C0, 992 bytes long.
 Data: < e=&#254;w   p =&#254;w   > 80 65 3D FE 77 02 00 00 70 06 3D FE 77 02 00 00 
{97} normal block at 0x00000277FE3D0910, 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 0x00000277FE3CE680, 16 bytes long.
 Data: <&#176;&=&#254;w           > B0 26 3D FE 77 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000277FE3D26B0, 40 bytes long.
 Data: < &#230;<&#254;w    	=&#254;w   > 80 E6 3C FE 77 02 00 00 10 09 3D FE 77 02 00 00 
{74} normal block at 0x00000277FE3CE860, 16 bytes long.
 Data: < &#234;[=&#247;           > 80 EA 5B 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000277FE3CDF00, 16 bytes long.
 Data: <@&#233;[=&#247;           > 40 E9 5B 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000277FE3CDFF0, 16 bytes long.
 Data: <&#248;WX=&#247;           > F8 57 58 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000277FE3CE270, 16 bytes long.
 Data: <&#216;WX=&#247;           > D8 57 58 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000277FE3CDEB0, 16 bytes long.
 Data: <P X=&#247;           > 50 04 58 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000277FE3CE950, 16 bytes long.
 Data: <0 X=&#247;           > 30 04 58 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000277FE3CDB40, 16 bytes long.
 Data: <&#224; X=&#247;           > E0 02 58 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000277FE3CDAA0, 16 bytes long.
 Data: <  X=&#247;           > 10 04 58 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000277FE3CE9F0, 16 bytes long.
 Data: <p X=&#247;           > 70 04 58 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000277FE3CE770, 16 bytes long.
 Data: < &#192;V=&#247;           > 18 C0 56 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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