Task 38668637
| Name | test_103-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND1957_0 |
| Workunit | 31611106 |
| Created | 25 Oct 2026, 12:20:04 UTC |
| Sent | 25 Oct 2026, 12:20:10 UTC |
| Report deadline | 30 Oct 2026, 12:20:10 UTC |
| Received | 25 Oct 2026, 12:26:42 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 585156 |
| Run time | 4 min 58 sec |
| CPU time | 2 min 9 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 | 682.18 MB |
| Peak swap size | 6.94 GB |
| Peak disk usage | 3.02 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>
13:22:30 (7988): wrapper (7.9.26016): starting
13:22:30 (7988): 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
13:22:33 (7988): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:22:33 (7988): 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\8\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\8\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\8\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
13:26:06 (7988): C:/Windows/system32/cmd.exe exited; CPU time 129.890625
13:26:06 (7988): app exit status: 0x16
13:26:06 (7988): 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: 4563829 bytes.
Dumping objects ->
{3835244} normal block at 0x000002C1E3C18C00, 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 0x000002C1E3C18B90, 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 0x000002C1E3C187A0, 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 0x000002C1E3C186C0, 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 0x000002C1E3C18B20, 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 0x000002C1E3C19B90, 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 0x000002C1E58703A0, 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 0x000002C1E3BE6DE0, 8 bytes long.
Data: < dåÁ > 00 00 64 E5 C1 02 00 00
{3834549} normal block at 0x000002C1E586FE20, 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 0x000002C1E3BE6CF0, 8 bytes long.
Data: <àŽŠåÁ > E0 8E 8A E5 C1 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002C1E3BF3D80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002C1E3BD60C0, 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 0x000002C1E3BF5A90, 16 bytes long.
Data: <¸_¿ãÁ > B8 5F BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002C1E3BF4DC0, 16 bytes long.
Data: < _¿ãÁ > 90 5F BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002C1E3BEC820, 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 0x000002C1E3BF5900, 16 bytes long.
Data: <h_¿ãÁ > 68 5F BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002C1E3BF5270, 16 bytes long.
Data: <@_¿ãÁ > 40 5F BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002C1E3BF5810, 16 bytes long.
Data: < _¿ãÁ > 18 5F BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002C1E3BF57C0, 16 bytes long.
Data: <ð^¿ãÁ > F0 5E BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002C1E3BEDB90, 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 0x000002C1E3BF5540, 16 bytes long.
Data: <¸Ø¾ãÁ > B8 D8 BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002C1E3BEBA40, 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 0x000002C1E3BF5400, 16 bytes long.
Data: < ؾãÁ > 90 D8 BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C1E3BF4E60, 16 bytes long.
Data: <hؾãÁ > 68 D8 BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002C1E3BF4D70, 16 bytes long.
Data: <@ؾãÁ > 40 D8 BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C1E3BF4CD0, 16 bytes long.
Data: < ؾãÁ > 18 D8 BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C1E3BF4F00, 16 bytes long.
Data: <ð×¾ãÁ > F0 D7 BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C1E3BF55E0, 16 bytes long.
Data: <È×¾ãÁ > C8 D7 BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C1E3BEC700, 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 0x000002C1E3BF5860, 16 bytes long.
Data: < ×¾ãÁ > A0 D7 BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C1E3BED7A0, 320 bytes long.
Data: <`X¿ãÁ ǾãÁ > 60 58 BF E3 C1 02 00 00 00 C7 BE E3 C1 02 00 00
{278} normal block at 0x000002C1E3BF5770, 16 bytes long.
Data: <Ð^¿ãÁ > D0 5E BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002C1E3BF54F0, 16 bytes long.
Data: <¨^¿ãÁ > A8 5E BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C1E3BEB9E0, 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 0x000002C1E3BF5090, 16 bytes long.
Data: < ^¿ãÁ > 80 5E BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C1E3BEBB00, 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 0x000002C1E3BF5B80, 16 bytes long.
Data: <È]¿ãÁ > C8 5D BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C1E3BF5C20, 16 bytes long.
Data: < ]¿ãÁ > A0 5D BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C1E3BF4D20, 16 bytes long.
Data: <x]¿ãÁ > 78 5D BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002C1E3BF4EB0, 16 bytes long.
Data: <P]¿ãÁ > 50 5D BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C1E3BF5680, 16 bytes long.
Data: <(]¿ãÁ > 28 5D BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002C1E3BF5B30, 16 bytes long.
Data: < ]¿ãÁ > 00 5D BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C1E3BF54A0, 16 bytes long.
Data: <PݾãÁ > 50 DD BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002C1E3BEDD50, 40 bytes long.
Data: < T¿ãÁ ›ÁãÁ > A0 54 BF E3 C1 02 00 00 90 9B C1 E3 C1 02 00 00
{264} normal block at 0x000002C1E3BF5950, 16 bytes long.
Data: <à\¿ãÁ > E0 5C BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002C1E3BF5130, 16 bytes long.
Data: <¸\¿ãÁ > B8 5C BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C1E3BEC8E0, 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 0x000002C1E3BF59A0, 16 bytes long.
Data: < \¿ãÁ > 90 5C BF E3 C1 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C1E3BF5C90, 992 bytes long.
Data: < Y¿ãÁ àȾãÁ > A0 59 BF E3 C1 02 00 00 E0 C8 BE E3 C1 02 00 00
{96} normal block at 0x000002C1E3BEC5E0, 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 0x000002C1E3BE6CA0, 16 bytes long.
Data: <`à¾ãÁ > 60 E0 BE E3 C1 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002C1E3BEE060, 40 bytes long.
Data: < l¾ãÁ àžãÁ > A0 6C BE E3 C1 02 00 00 E0 C5 BE E3 C1 02 00 00
{73} normal block at 0x000002C1E3BE7BA0, 16 bytes long.
Data: < êAÃö > 80 EA 41 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002C1E3BE6F70, 16 bytes long.
Data: <@éAÃö > 40 E9 41 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002C1E3BE76A0, 16 bytes long.
Data: <øW>Ãö > F8 57 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002C1E3BE7B50, 16 bytes long.
Data: <ØW>Ãö > D8 57 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002C1E3BE76F0, 16 bytes long.
Data: <P >Ãö > 50 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002C1E3BE7B00, 16 bytes long.
Data: <0 >Ãö > 30 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002C1E3BE6D90, 16 bytes long.
Data: <à >Ãö > E0 02 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002C1E3BE7A10, 16 bytes long.
Data: < >Ãö > 10 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002C1E3BE75B0, 16 bytes long.
Data: <p >Ãö > 70 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002C1E3BE79C0, 16 bytes long.
Data: < À<Ãö > 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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