Task 38670241

Name test_493-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND9048_0
Workunit 31612498
Created 25 Oct 2026, 16:53:07 UTC
Sent 25 Oct 2026, 16:53:10 UTC
Report deadline 30 Oct 2026, 16:53:10 UTC
Received 25 Oct 2026, 17:36:48 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 654625
Run time 24 min 56 sec
CPU time 23 min 50 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 21,553.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.75 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:11:40 (2332): wrapper (7.9.26016): starting
17:11:40 (2332): 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
17:11:41 (2332): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:11:41 (2332): 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:\Applications\BOINC\slots\2\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:\Applications\BOINC\slots\2\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:\Applications\BOINC\slots\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\Applications\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "D:\Applications\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 333, in scheduleJobs
    self._sync_checkpointing(checkpoint_frequency, current_samples, new_samples)
  File "D:\Applications\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 369, in _sync_checkpointing
    self.openmm_replicas[i].save_checkpoint()
  File "D:\Applications\BOINC\slots\2\Lib\site-packages\atom_openmm\ommreplica.py", line 90, in save_checkpoint
    self.worker.simulation.saveState(ckptfile)
  File "D:\Applications\BOINC\slots\2\Lib\site-packages\openmm\app\simulation.py", line 342, in saveState
    xml = mm.XmlSerializer.serialize(state)
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\Applications\BOINC\slots\2\Lib\site-packages\openmm\openmm.py", line 19607, in serialize
    return XmlSerializer._serializeState(object)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\Applications\BOINC\slots\2\Lib\site-packages\openmm\openmm.py", line 19585, in _serializeState
    return _openmm.XmlSerializer__serializeState(object)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
17:35:12 (2332): C:/Windows/system32/cmd.exe exited; CPU time 1430.000000
17:35:12 (2332): app exit status: 0x16
17:35:12 (2332): 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: 27705633 bytes.
Dumping objects ->
{3835581} normal block at 0x00000247CB6C78D0, 48 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835570} normal block at 0x00000247CB6C7860, 48 bytes long.
 Data: <HOME=D:\Applicat> 48 4F 4D 45 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835559} normal block at 0x00000247CB6C77F0, 48 bytes long.
 Data: <TMP=D:\Applicati> 54 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 69 
{3835548} normal block at 0x00000247CB6C7780, 48 bytes long.
 Data: <TEMP=D:\Applicat> 54 45 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835537} normal block at 0x00000247CB6C7630, 48 bytes long.
 Data: <TMPDIR=D:\Applic> 54 4D 50 44 49 52 3D 44 3A 5C 41 70 70 6C 69 63 
{3835506} normal block at 0x00000247CD45CF10, 64 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x00000247CB6BFFA0, 8 bytes long.
 Data: <  h&#203;G   > 00 00 68 CB 47 02 00 00 
{3833963} normal block at 0x00000247CB6BF7D0, 8 bytes long.
 Data: <`YK&#205;G   > 60 59 4B CD 47 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000247CB6C4280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000247CB6B1AA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000247CB6C84D0, 16 bytes long.
 Data: <&#248;&#142;l&#203;G           > F8 8E 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000247CB6C7F30, 16 bytes long.
 Data: <&#208;&#142;l&#203;G           > D0 8E 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000247CB6C2550, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000247CB6C8070, 16 bytes long.
 Data: <&#168;&#142;l&#203;G           > A8 8E 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000247CB6C89D0, 16 bytes long.
 Data: < &#142;l&#203;G           > 80 8E 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000247CB6C7E90, 16 bytes long.
 Data: <X&#142;l&#203;G           > 58 8E 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000247CB6C81B0, 16 bytes long.
 Data: <0&#142;l&#203;G           > 30 8E 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000247CB6C7A20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000247CB6C8110, 16 bytes long.
 Data: < &#180;k&#203;G           > 98 B4 6B CB 47 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000247CB6C1830, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000247CB6C8160, 16 bytes long.
 Data: <p&#180;k&#203;G           > 70 B4 6B CB 47 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000247CB6C8AC0, 16 bytes long.
 Data: <H&#180;k&#203;G           > 48 B4 6B CB 47 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000247CB6C8980, 16 bytes long.
 Data: < &#180;k&#203;G           > 20 B4 6B CB 47 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000247CB6C8250, 16 bytes long.
 Data: <&#248;&#179;k&#203;G           > F8 B3 6B CB 47 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000247CB6C88E0, 16 bytes long.
 Data: <&#208;&#179;k&#203;G           > D0 B3 6B CB 47 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000247CB6C7DA0, 16 bytes long.
 Data: <&#168;&#179;k&#203;G           > A8 B3 6B CB 47 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000247CB6C1B90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000247CB6C7C60, 16 bytes long.
 Data: < &#179;k&#203;G           > 80 B3 6B CB 47 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000247CB6BB380, 320 bytes long.
 Data: <`|l&#203;G     l&#203;G   > 60 7C 6C CB 47 02 00 00 90 1B 6C CB 47 02 00 00 
{277} normal block at 0x00000247CB6C7D50, 16 bytes long.
 Data: < &#142;l&#203;G           > 10 8E 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000247CB6C7D00, 16 bytes long.
 Data: <&#232; l&#203;G           > E8 8D 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000247CB6C1890, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000247CB6C8200, 16 bytes long.
 Data: <&#192; l&#203;G           > C0 8D 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000247CB6C1BF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000247CB6C8840, 16 bytes long.
 Data: <  l&#203;G           > 08 8D 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000247CB6C7F80, 16 bytes long.
 Data: <&#224;&#140;l&#203;G           > E0 8C 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000247CB6C8390, 16 bytes long.
 Data: <&#184;&#140;l&#203;G           > B8 8C 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000247CB6C7EE0, 16 bytes long.
 Data: < &#140;l&#203;G           > 90 8C 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000247CB6C7CB0, 16 bytes long.
 Data: <h&#140;l&#203;G           > 68 8C 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000247CB6C8340, 16 bytes long.
 Data: <@&#140;l&#203;G           > 40 8C 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000247CB6C8930, 16 bytes long.
 Data: < {l&#203;G           > 00 7B 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000247CB6C7B00, 40 bytes long.
 Data: <0&#137;l&#203;G    &#207;E&#205;G   > 30 89 6C CB 47 02 00 00 10 CF 45 CD 47 02 00 00 
{263} normal block at 0x00000247CB6C8890, 16 bytes long.
 Data: < &#140;l&#203;G           > 20 8C 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000247CB6C7C10, 16 bytes long.
 Data: <&#248;&#139;l&#203;G           > F8 8B 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000247CB6C2250, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000247CB6C7E40, 16 bytes long.
 Data: <&#208;&#139;l&#203;G           > D0 8B 6C CB 47 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000247CB6C8BD0, 992 bytes long.
 Data: <@~l&#203;G   P"l&#203;G   > 40 7E 6C CB 47 02 00 00 50 22 6C CB 47 02 00 00 
{95} normal block at 0x00000247CB6C2010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000247CB6BF780, 16 bytes long.
 Data: <&#208;&k&#203;G           > D0 26 6B CB 47 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000247CB6B26D0, 40 bytes long.
 Data: < &#247;k&#203;G     l&#203;G   > 80 F7 6B CB 47 02 00 00 10 20 6C CB 47 02 00 00 
{72} normal block at 0x00000247CB6BF6E0, 16 bytes long.
 Data: < &#234;QB&#246;           > 80 EA 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000247CB6BFA50, 16 bytes long.
 Data: <@&#233;QB&#246;           > 40 E9 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000247CB6BF730, 16 bytes long.
 Data: <&#248;WNB&#246;           > F8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000247CB6C0310, 16 bytes long.
 Data: <&#216;WNB&#246;           > D8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000247CB6C01D0, 16 bytes long.
 Data: <P NB&#246;           > 50 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000247CB6BFAA0, 16 bytes long.
 Data: <0 NB&#246;           > 30 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000247CB6C0130, 16 bytes long.
 Data: <&#224; NB&#246;           > E0 02 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000247CB6BF690, 16 bytes long.
 Data: <  NB&#246;           > 10 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000247CB6BFA00, 16 bytes long.
 Data: <p NB&#246;           > 70 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000247CB6BF5F0, 16 bytes long.
 Data: < &#192;LB&#246;           > 18 C0 4C 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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