Task 38628509

Name cdk8_A31_A23_r0_2-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND7486_2
Workunit 31577434
Created 24 Apr 2026, 19:25:58 UTC
Sent 24 Apr 2026, 19:26:08 UTC
Report deadline 29 Apr 2026, 19:26:08 UTC
Received 24 Apr 2026, 23:25:18 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652183
Run time 1 min 13 sec
CPU time 12 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,331.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 336.11 MB
Peak swap size 10.68 GB
Peak disk usage 1.52 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:21:30 (24132): wrapper (7.9.26016): starting
17:21:30 (24132): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A23.inpcrd
QB_A31_A23_input.yaml
QB_A31_A23.pdb
QB_A31_A23.prmtop
QB_A31_A23_sys.xml
run.bat
run.sh
17:21:31 (24132): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:21:31 (24132): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\1\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\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\1\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\1\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_A23_0.xml'
17:21:52 (24132): C:/Windows/system32/cmd.exe exited; CPU time 12.968750
17:21:52 (24132): app exit status: 0x16
17:21:52 (24132): 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: 784375 bytes.
Dumping objects ->
{3835258} normal block at 0x0000020B26327C10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000020B246A4BF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000020B246A4DB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000020B246A4B80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000020B246A48E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000020B26338E40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835170} normal block at 0x0000020B2469D9D0, 8 bytes long.
 Data: <  &#184;$    > 00 00 B8 24 0B 02 00 00 
{3833959} normal block at 0x0000020B2469CFD0, 8 bytes long.
 Data: < &#214;h$    > 90 D6 68 24 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020B24690E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020B24691A50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000020B246A6210, 16 bytes long.
 Data: <&#168;ej$            > A8 65 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B246A6120, 16 bytes long.
 Data: < ej$            > 80 65 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B246A09D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000020B246A56D0, 16 bytes long.
 Data: <Xej$            > 58 65 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B246A5EA0, 16 bytes long.
 Data: <0ej$            > 30 65 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B246A5630, 16 bytes long.
 Data: < ej$            > 08 65 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B246A5E50, 16 bytes long.
 Data: <&#224;dj$            > E0 64 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B246A4B10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000020B246A5720, 16 bytes long.
 Data: <&#232;(i$            > E8 28 69 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B246A13F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000020B246A5A90, 16 bytes long.
 Data: <&#192;(i$            > C0 28 69 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B246A55E0, 16 bytes long.
 Data: < (i$            > 98 28 69 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B246A6030, 16 bytes long.
 Data: <p(i$            > 70 28 69 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B246A5FE0, 16 bytes long.
 Data: <H(i$            > 48 28 69 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B246A61C0, 16 bytes long.
 Data: < (i$            > 20 28 69 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B246A5C20, 16 bytes long.
 Data: <&#248;'i$            > F8 27 69 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B246A0790, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000020B246A5860, 16 bytes long.
 Data: <&#208;'i$            > D0 27 69 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B246927D0, 320 bytes long.
 Data: <`Xj$      j$    > 60 58 6A 24 0B 02 00 00 90 07 6A 24 0B 02 00 00 
{275} normal block at 0x0000020B246A59F0, 16 bytes long.
 Data: <&#192;dj$            > C0 64 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B246A5360, 16 bytes long.
 Data: < dj$            > 98 64 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B246A14B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000020B246A6170, 16 bytes long.
 Data: <pdj$            > 70 64 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B246A07F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000020B246A5310, 16 bytes long.
 Data: <&#184;cj$            > B8 63 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B246A5680, 16 bytes long.
 Data: < cj$            > 90 63 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B246A5E00, 16 bytes long.
 Data: <hcj$            > 68 63 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B246A5540, 16 bytes long.
 Data: <@cj$            > 40 63 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B246A5DB0, 16 bytes long.
 Data: < cj$            > 18 63 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B246A5BD0, 16 bytes long.
 Data: <&#240;bj$            > F0 62 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B246A5D60, 16 bytes long.
 Data: <0Jj$            > 30 4A 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B246A4A30, 40 bytes long.
 Data: <`]j$    @&#142;3&    > 60 5D 6A 24 0B 02 00 00 40 8E 33 26 0B 02 00 00 
{261} normal block at 0x0000020B246A5F90, 16 bytes long.
 Data: <&#208;bj$            > D0 62 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B246A5590, 16 bytes long.
 Data: <&#168;bj$            > A8 62 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B246A1630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000020B246A5F40, 16 bytes long.
 Data: < bj$            > 80 62 6A 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020B246A6280, 992 bytes long.
 Data: <@_j$    0 j$    > 40 5F 6A 24 0B 02 00 00 30 16 6A 24 0B 02 00 00 
{93} normal block at 0x0000020B246A0910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000020B2469DD40, 16 bytes long.
 Data: < &#228;h$            > 80 E4 68 24 0B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020B2468E480, 40 bytes long.
 Data: <@&#221;i$     	j$    > 40 DD 69 24 0B 02 00 00 10 09 6A 24 0B 02 00 00 
{70} normal block at 0x0000020B2469D340, 16 bytes long.
 Data: < &#234;&#231;"&#247;           > 80 EA E7 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020B2469DCF0, 16 bytes long.
 Data: <@&#233;&#231;"&#247;           > 40 E9 E7 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B2469D980, 16 bytes long.
 Data: <&#248;W&#228;"&#247;           > F8 57 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B2469D570, 16 bytes long.
 Data: <&#216;W&#228;"&#247;           > D8 57 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B2469D020, 16 bytes long.
 Data: <P &#228;"&#247;           > 50 04 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B2469DE30, 16 bytes long.
 Data: <0 &#228;"&#247;           > 30 04 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B2469D0C0, 16 bytes long.
 Data: <&#224; &#228;"&#247;           > E0 02 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B2469D750, 16 bytes long.
 Data: <  &#228;"&#247;           > 10 04 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B2469DC00, 16 bytes long.
 Data: <p &#228;"&#247;           > 70 04 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B2469D070, 16 bytes long.
 Data: < &#192;&#226;"&#247;           > 18 C0 E2 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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