Task 38627445

Name cdk8_A31_A19_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND8689_0
Workunit 31577428
Created 24 Apr 2026, 11:53:56 UTC
Sent 24 Apr 2026, 12:08:22 UTC
Report deadline 29 Apr 2026, 12:08:22 UTC
Received 25 Apr 2026, 13:49:47 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 609955
Run time 7 min 36 sec
CPU time 16 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 22,593.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 236.00 MB
Peak swap size 9.07 GB
Peak disk usage 3.95 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł� (null) �͎��s����܂���B
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
22:47:14 (40208): wrapper (7.9.26016): starting
22:47:14 (40208): 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
22:47:16 (40208): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:47:16 (40208): 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 'D:\BOINC\slots\19\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 'D:\BOINC\slots\19\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 "D:\BOINC\slots\19\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC\slots\19\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\19\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 "D:\BOINC\slots\19\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "D:\BOINC\slots\19\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "D:\BOINC\slots\19\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
    self.simulation.loadState(self.basename + "_0.xml")
  File "D:\BOINC\slots\19\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'
22:48:01 (40208): C:/Windows/system32/cmd.exe exited; CPU time 16.343750
22:48:01 (40208): app exit status: 0x16
22:48:01 (40208): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 876657 bytes.
Dumping objects ->
{3835582} normal block at 0x000001A9ECC35DB0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835571} normal block at 0x000001A9EEE20080, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835560} normal block at 0x000001A9EEE208C0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835549} normal block at 0x000001A9EEE1FB40, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835538} normal block at 0x000001A9EEE1FC00, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835507} normal block at 0x000001A9ECC35D40, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835496} normal block at 0x000001A9ECC9A780, 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) : {3835493} normal block at 0x000001A9ECC2E670, 8 bytes long.
 Data: <  &#192; &#169;   > 00 00 C0 EC A9 01 00 00 
{3834771} normal block at 0x000001A9ECC9AE00, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834073} normal block at 0x000001A9ECC2DE00, 8 bytes long.
 Data: <&#176; &#193; &#169;   > B0 E0 C1 EC A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001A9ECC21A40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001A9ECC22210, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001A9ECC36420, 16 bytes long.
 Data: < v&#195; &#169;           > 18 76 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A9ECC36CE0, 16 bytes long.
 Data: < u&#195; &#169;           > F0 75 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A9ECC304A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001A9ECC36F10, 16 bytes long.
 Data: <&#200;u&#195; &#169;           > C8 75 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A9ECC37230, 16 bytes long.
 Data: < u&#195; &#169;           > A0 75 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A9ECC36380, 16 bytes long.
 Data: <xu&#195; &#169;           > 78 75 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A9ECC363D0, 16 bytes long.
 Data: <Pu&#195; &#169;           > 50 75 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A9ECC359C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001A9ECC366F0, 16 bytes long.
 Data: <( &#194; &#169;           > 28 1F C2 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A9ECC30680, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001A9ECC36BA0, 16 bytes long.
 Data: <  &#194; &#169;           > 00 1F C2 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A9ECC36B50, 16 bytes long.
 Data: <&#216; &#194; &#169;           > D8 1E C2 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A9ECC367E0, 16 bytes long.
 Data: <&#176; &#194; &#169;           > B0 1E C2 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A9ECC36A10, 16 bytes long.
 Data: <  &#194; &#169;           > 88 1E C2 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A9ECC36EC0, 16 bytes long.
 Data: <` &#194; &#169;           > 60 1E C2 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A9ECC370F0, 16 bytes long.
 Data: <8 &#194; &#169;           > 38 1E C2 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A9ECC30C80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001A9ECC37000, 16 bytes long.
 Data: <  &#194; &#169;           > 10 1E C2 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A9ECC21E10, 320 bytes long.
 Data: < p&#195; &#169;     &#195; &#169;   > 00 70 C3 EC A9 01 00 00 80 0C C3 EC A9 01 00 00 
{280} normal block at 0x000001A9ECC369C0, 16 bytes long.
 Data: <0u&#195; &#169;           > 30 75 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A9ECC36970, 16 bytes long.
 Data: < u&#195; &#169;           > 08 75 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A9ECC30920, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001A9ECC371E0, 16 bytes long.
 Data: < t&#195; &#169;           > E0 74 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A9ECC30C20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001A9ECC36470, 16 bytes long.
 Data: <(t&#195; &#169;           > 28 74 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A9ECC36AB0, 16 bytes long.
 Data: < t&#195; &#169;           > 00 74 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A9ECC36880, 16 bytes long.
 Data: <&#216;s&#195; &#169;           > D8 73 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A9ECC36C90, 16 bytes long.
 Data: <&#176;s&#195; &#169;           > B0 73 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A9ECC36D80, 16 bytes long.
 Data: < s&#195; &#169;           > 88 73 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A9ECC36B00, 16 bytes long.
 Data: <`s&#195; &#169;           > 60 73 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A9ECC36830, 16 bytes long.
 Data: <PY&#195; &#169;           > 50 59 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A9ECC35950, 40 bytes long.
 Data: <0h&#195; &#169;   @]&#195; &#169;   > 30 68 C3 EC A9 01 00 00 40 5D C3 EC A9 01 00 00 
{266} normal block at 0x000001A9ECC36DD0, 16 bytes long.
 Data: <@s&#195; &#169;           > 40 73 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A9ECC36C40, 16 bytes long.
 Data: < s&#195; &#169;           > 18 73 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A9ECC30B00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001A9ECC36BF0, 16 bytes long.
 Data: < r&#195; &#169;           > F0 72 C3 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A9ECC372F0, 992 bytes long.
 Data: < k&#195; &#169;     &#195; &#169;   > F0 6B C3 EC A9 01 00 00 00 0B C3 EC A9 01 00 00 
{98} normal block at 0x000001A9ECC30320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001A9ECC2E3F0, 16 bytes long.
 Data: < &#220;&#193; &#169;           > 10 DC C1 EC A9 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001A9ECC1DC10, 40 bytes long.
 Data: <  &#194; &#169;     &#195; &#169;   > F0 E3 C2 EC A9 01 00 00 20 03 C3 EC A9 01 00 00 
{73} normal block at 0x000001A9ECC2DEA0, 16 bytes long.
 Data: <   &#198;            > 80 EA 1B C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A9ECC2E800, 16 bytes long.
 Data: <@  &#198;            > 40 E9 1B C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A9ECC2E620, 16 bytes long.
 Data: < W &#198;            > F8 57 18 C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A9ECC2E210, 16 bytes long.
 Data: <&#216;W &#198;            > D8 57 18 C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A9ECC2E8A0, 16 bytes long.
 Data: <P  &#198;            > 50 04 18 C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A9ECC2DD60, 16 bytes long.
 Data: <0  &#198;            > 30 04 18 C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A9ECC2E7B0, 16 bytes long.
 Data: <   &#198;            > E0 02 18 C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A9ECC2DB80, 16 bytes long.
 Data: <   &#198;            > 10 04 18 C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A9ECC2DC70, 16 bytes long.
 Data: <p  &#198;            > 70 04 18 C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A9ECC2DC20, 16 bytes long.
 Data: < &#192; &#198;            > 18 C0 16 C6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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