Task 38627633

Name cdk8_A28_A09_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND9653_2
Workunit 31577401
Created 24 Apr 2026, 12:38:20 UTC
Sent 24 Apr 2026, 12:40:44 UTC
Report deadline 29 Apr 2026, 12:40:44 UTC
Received 24 Apr 2026, 12:43:15 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 609285
Run time 1 min 9 sec
CPU time 13 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 111,639.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 212.81 MB
Peak swap size 12.05 GB
Peak disk usage 4.03 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>
05:41:34 (49484): wrapper (7.9.26016): starting
05:41:34 (49484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A09.inpcrd
QB_A28_A09_input.yaml
QB_A28_A09.pdb
QB_A28_A09.prmtop
QB_A28_A09_sys.xml
run.bat
run.sh
05:41:35 (49484): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:41:35 (49484): 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\13\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\13\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\13\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\13\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\13\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\13\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\13\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_A28_A09_0.xml'
05:41:56 (49484): C:/Windows/system32/cmd.exe exited; CPU time 13.296875
05:41:56 (49484): app exit status: 0x16
05:41:56 (49484): 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: 674909 bytes.
Dumping objects ->
{3835200} normal block at 0x00000244DA3F5010, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000244DA3F4F30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835178} normal block at 0x00000244DA3F4EC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835167} normal block at 0x00000244DA3F5240, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835156} normal block at 0x00000244DA3F4DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835125} normal block at 0x00000244DC194420, 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) : {3835112} normal block at 0x00000244DA3EDDE0, 8 bytes long.
 Data: <  &#140;&#218;D   > 00 00 8C DA 44 02 00 00 
{3833961} normal block at 0x00000244DA3EDCF0, 8 bytes long.
 Data: < g &#220;D   > 00 67 1E DC 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000244DA3E15E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000244DA3E1C40, 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 0x00000244DA3F5EE0, 16 bytes long.
 Data: < k?&#218;D           > 88 6B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000244DA3F62A0, 16 bytes long.
 Data: <`k?&#218;D           > 60 6B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000244DA3F1A30, 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 0x00000244DA3F5FD0, 16 bytes long.
 Data: <8k?&#218;D           > 38 6B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000244DA3F67A0, 16 bytes long.
 Data: < k?&#218;D           > 10 6B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000244DA3F6110, 16 bytes long.
 Data: <&#232;j?&#218;D           > E8 6A 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000244DA3F6250, 16 bytes long.
 Data: <&#192;j?&#218;D           > C0 6A 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000244DA3F4C90, 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 0x00000244DA3F66B0, 16 bytes long.
 Data: <H ?&#218;D           > 48 0C 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000244DA3F0E30, 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 0x00000244DA3F6700, 16 bytes long.
 Data: <  ?&#218;D           > 20 0C 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000244DA3F5A80, 16 bytes long.
 Data: <&#248; ?&#218;D           > F8 0B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000244DA3F5F80, 16 bytes long.
 Data: <&#208; ?&#218;D           > D0 0B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000244DA3F59E0, 16 bytes long.
 Data: <&#168; ?&#218;D           > A8 0B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000244DA3F60C0, 16 bytes long.
 Data: <  ?&#218;D           > 80 0B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000244DA3F6070, 16 bytes long.
 Data: <X ?&#218;D           > 58 0B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000244DA3F1970, 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 0x00000244DA3F5BC0, 16 bytes long.
 Data: <0 ?&#218;D           > 30 0B 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000244DA3F0B30, 320 bytes long.
 Data: <&#192;[?&#218;D   p ?&#218;D   > C0 5B 3F DA 44 02 00 00 70 19 3F DA 44 02 00 00 
{276} normal block at 0x00000244DA3F5F30, 16 bytes long.
 Data: <&#160;j?&#218;D           > A0 6A 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000244DA3F6390, 16 bytes long.
 Data: <xj?&#218;D           > 78 6A 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000244DA3F1430, 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 0x00000244DA3F58A0, 16 bytes long.
 Data: <Pj?&#218;D           > 50 6A 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000244DA3F17F0, 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 0x00000244DA3F5D50, 16 bytes long.
 Data: < i?&#218;D           > 98 69 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000244DA3F64D0, 16 bytes long.
 Data: <pi?&#218;D           > 70 69 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000244DA3F6610, 16 bytes long.
 Data: <Hi?&#218;D           > 48 69 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000244DA3F5E40, 16 bytes long.
 Data: < i?&#218;D           > 20 69 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000244DA3F6480, 16 bytes long.
 Data: <&#248;h?&#218;D           > F8 68 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000244DA3F5DA0, 16 bytes long.
 Data: <&#208;h?&#218;D           > D0 68 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000244DA3F63E0, 16 bytes long.
 Data: < S?&#218;D           > 20 53 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000244DA3F5320, 40 bytes long.
 Data: <&#224;c?&#218;D    D &#220;D   > E0 63 3F DA 44 02 00 00 20 44 19 DC 44 02 00 00 
{262} normal block at 0x00000244DA3F6430, 16 bytes long.
 Data: <&#176;h?&#218;D           > B0 68 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000244DA3F67F0, 16 bytes long.
 Data: < h?&#218;D           > 88 68 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000244DA3F1010, 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 0x00000244DA3F6160, 16 bytes long.
 Data: <`h?&#218;D           > 60 68 3F DA 44 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000244DA3F6860, 992 bytes long.
 Data: <`a?&#218;D     ?&#218;D   > 60 61 3F DA 44 02 00 00 10 10 3F DA 44 02 00 00 
{94} normal block at 0x00000244DA3F1790, 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 0x00000244DA3EDB10, 16 bytes long.
 Data: <@&#194;=&#218;D           > 40 C2 3D DA 44 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000244DA3DC240, 40 bytes long.
 Data: < &#219;>&#218;D     ?&#218;D   > 10 DB 3E DA 44 02 00 00 90 17 3F DA 44 02 00 00 
{71} normal block at 0x00000244DA3ED2F0, 16 bytes long.
 Data: < &#234;&#149;&#235;&#247;           > 80 EA 95 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000244DA3ED610, 16 bytes long.
 Data: <@&#233;&#149;&#235;&#247;           > 40 E9 95 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000244DA3ED110, 16 bytes long.
 Data: <&#248;W&#146;&#235;&#247;           > F8 57 92 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000244DA3ED700, 16 bytes long.
 Data: <&#216;W&#146;&#235;&#247;           > D8 57 92 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000244DA3ED0C0, 16 bytes long.
 Data: <P &#146;&#235;&#247;           > 50 04 92 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000244DA3EDBB0, 16 bytes long.
 Data: <0 &#146;&#235;&#247;           > 30 04 92 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000244DA3ED390, 16 bytes long.
 Data: <&#224; &#146;&#235;&#247;           > E0 02 92 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000244DA3EDD90, 16 bytes long.
 Data: <  &#146;&#235;&#247;           > 10 04 92 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000244DA3ED5C0, 16 bytes long.
 Data: <p &#146;&#235;&#247;           > 70 04 92 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000244DA3ED340, 16 bytes long.
 Data: < &#192; &#235;&#247;           > 18 C0 90 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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