Task 38668683

Name test_560-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND3916_0
Workunit 31611145
Created 25 Oct 2026, 12:26:36 UTC
Sent 25 Oct 2026, 12:26:42 UTC
Report deadline 30 Oct 2026, 12:26:42 UTC
Received 25 Oct 2026, 12:31:09 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 585156
Run time 1 min 48 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 53.87 MB
Peak swap size 40.64 MB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:29:08 (35208): wrapper (7.9.26016): starting
13:29:08 (35208): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
13:29:10 (35208): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:29:10 (35208): 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 443, in start_worker
    self._openmm_worker_body()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
    self.load_system()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
    self.system = XmlSerializer.deserialize(input.read())
                  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
    return XmlSerializer.deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
    return _openmm.XmlSerializer_deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
13:29:43 (35208): C:/Windows/system32/cmd.exe exited; CPU time 1.531250
13:29:43 (35208): app exit status: 0x16
13:29:43 (35208): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 1085441 bytes.
Dumping objects ->
{3835244} normal block at 0x000001A86E048690, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001A86E0481C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001A86E048620, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x000001A86E048C40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000001A86E048150, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x000001A86E0498E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x000001A86FB7F5D0, 102 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) : {3835155} normal block at 0x000001A86E016CC0, 8 bytes long.
 Data: <  &#251;m&#168;   > 00 00 FB 6D A8 01 00 00 
{3834549} normal block at 0x000001A86FB80020, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001A86E017080, 8 bytes long.
 Data: <&#224;&#156;&#183;o&#168;   > E0 9C B7 6F A8 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001A86E023D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A86E00B4E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001A86E0255B0, 16 bytes long.
 Data: < _ n&#168;           > 88 5F 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A86E024FC0, 16 bytes long.
 Data: <`_ n&#168;           > 60 5F 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A86E01C4F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001A86E024F20, 16 bytes long.
 Data: <8_ n&#168;           > 38 5F 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A86E025510, 16 bytes long.
 Data: < _ n&#168;           > 10 5F 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A86E0254C0, 16 bytes long.
 Data: <&#232;^ n&#168;           > E8 5E 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A86E025150, 16 bytes long.
 Data: <&#192;^ n&#168;           > C0 5E 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A86E01DE70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001A86E0253D0, 16 bytes long.
 Data: < &#200; n&#168;           > 98 C8 00 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A86E01BB30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001A86E0259C0, 16 bytes long.
 Data: <p&#200; n&#168;           > 70 C8 00 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A86E0258D0, 16 bytes long.
 Data: <H&#200; n&#168;           > 48 C8 00 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A86E025830, 16 bytes long.
 Data: < &#200; n&#168;           > 20 C8 00 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A86E025790, 16 bytes long.
 Data: <&#248;&#199; n&#168;           > F8 C7 00 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A86E025880, 16 bytes long.
 Data: <&#208;&#199; n&#168;           > D0 C7 00 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A86E024E80, 16 bytes long.
 Data: <&#168;&#199; n&#168;           > A8 C7 00 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A86E01C5B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001A86E024ED0, 16 bytes long.
 Data: < &#199; n&#168;           > 80 C7 00 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A86E00C780, 320 bytes long.
 Data: <&#208;N n&#168;   &#176;&#197; n&#168;   > D0 4E 02 6E A8 01 00 00 B0 C5 01 6E A8 01 00 00 
{278} normal block at 0x000001A86E025970, 16 bytes long.
 Data: <&#160;^ n&#168;           > A0 5E 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A86E0252E0, 16 bytes long.
 Data: <x^ n&#168;           > 78 5E 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A86E01C430, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001A86E024D90, 16 bytes long.
 Data: <P^ n&#168;           > 50 5E 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A86E01BA70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001A86E025B00, 16 bytes long.
 Data: < ] n&#168;           > 98 5D 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A86E025740, 16 bytes long.
 Data: <p] n&#168;           > 70 5D 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A86E024CF0, 16 bytes long.
 Data: <H] n&#168;           > 48 5D 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A86E0256F0, 16 bytes long.
 Data: < ] n&#168;           > 20 5D 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A86E025AB0, 16 bytes long.
 Data: <&#248;\ n&#168;           > F8 5C 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A86E0250B0, 16 bytes long.
 Data: <&#208;\ n&#168;           > D0 5C 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A86E025A60, 16 bytes long.
 Data: <&#160;&#224; n&#168;           > A0 E0 01 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A86E01E0A0, 40 bytes long.
 Data: <`Z n&#168;   &#224;  n&#168;   > 60 5A 02 6E A8 01 00 00 E0 98 04 6E A8 01 00 00 
{264} normal block at 0x000001A86E025290, 16 bytes long.
 Data: <&#176;\ n&#168;           > B0 5C 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A86E025380, 16 bytes long.
 Data: < \ n&#168;           > 88 5C 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A86E01C370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001A86E024D40, 16 bytes long.
 Data: <`\ n&#168;           > 60 5C 02 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A86E025C60, 992 bytes long.
 Data: <@M n&#168;   p&#195; n&#168;   > 40 4D 02 6E A8 01 00 00 70 C3 01 6E A8 01 00 00 
{96} normal block at 0x000001A86E01C730, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001A86E0170D0, 16 bytes long.
 Data: < &#221; n&#168;           > 20 DD 01 6E A8 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001A86E01DD20, 40 bytes long.
 Data: <&#208;p n&#168;   0&#199; n&#168;   > D0 70 01 6E A8 01 00 00 30 C7 01 6E A8 01 00 00 
{73} normal block at 0x000001A86E0178F0, 16 bytes long.
 Data: < &#234;A&#195;&#246;           > 80 EA 41 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A86E016C70, 16 bytes long.
 Data: <@&#233;A&#195;&#246;           > 40 E9 41 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A86E0171C0, 16 bytes long.
 Data: <&#248;W>&#195;&#246;           > F8 57 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A86E0173F0, 16 bytes long.
 Data: <&#216;W>&#195;&#246;           > D8 57 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A86E017030, 16 bytes long.
 Data: <P >&#195;&#246;           > 50 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A86E017490, 16 bytes long.
 Data: <0 >&#195;&#246;           > 30 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A86E017710, 16 bytes long.
 Data: <&#224; >&#195;&#246;           > E0 02 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A86E016FE0, 16 bytes long.
 Data: <  >&#195;&#246;           > 10 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A86E016C20, 16 bytes long.
 Data: <p >&#195;&#246;           > 70 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A86E017670, 16 bytes long.
 Data: < &#192;<&#195;&#246;           > 18 C0 3C C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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