Task 38686683
| Name | test_640-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND1538_0 |
| Workunit | 31628105 |
| Created | 28 Oct 2026, 3:52:18 UTC |
| Sent | 28 Oct 2026, 3:52:24 UTC |
| Report deadline | 2 Nov 2026, 3:52:24 UTC |
| Received | 28 Oct 2026, 23:20:52 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 618343 |
| Run time | 1 min 53 sec |
| CPU time | 1 min 53 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.38 MB |
| Peak swap size | 13.10 GB |
| Peak disk usage | 1.47 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:15:45 (2112): wrapper (7.9.26016): starting
16:15:45 (2112): 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
16:15:46 (2112): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:15:46 (2112): 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\25\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\25\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\25\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\async_re.py", line 333, in scheduleJobs
self._sync_checkpointing(checkpoint_frequency, current_samples, new_samples)
File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\async_re.py", line 369, in _sync_checkpointing
self.openmm_replicas[i].save_checkpoint()
File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\ommreplica.py", line 90, in save_checkpoint
self.worker.simulation.saveState(ckptfile)
File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\openmm\app\simulation.py", line 342, in saveState
xml = mm.XmlSerializer.serialize(state)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\openmm\openmm.py", line 19607, in serialize
return XmlSerializer._serializeState(object)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\openmm\openmm.py", line 19585, in _serializeState
return _openmm.XmlSerializer__serializeState(object)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
16:18:48 (2112): C:/Windows/system32/cmd.exe exited; CPU time 113.468750
16:18:48 (2112): app exit status: 0x16
16:18:48 (2112): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 4530863 bytes.
Dumping objects ->
{3835237} normal block at 0x00000185505A28E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x00000185505A1D80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835215} normal block at 0x00000185505A2090, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835204} normal block at 0x00000185505A25D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x00000185505A2B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835162} normal block at 0x00000185523B1BA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835151} normal block at 0x00000185505FAF30, 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) : {3835148} normal block at 0x000001855058A7B0, 8 bytes long.
Data: < –P… > 00 00 96 50 85 01 00 00
{3834546} normal block at 0x00000185505FA160, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001855058A490, 8 bytes long.
Data: < S/R… > 80 53 2F 52 85 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001855057A960, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001855057C7C0, 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 0x000001855058AD50, 16 bytes long.
Data: <¸ÇXP… > B8 C7 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001855058ABC0, 16 bytes long.
Data: < ÇXP… > 90 C7 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000185505A3050, 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 0x000001855058AA80, 16 bytes long.
Data: <hÇXP… > 68 C7 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001855058A760, 16 bytes long.
Data: <@ÇXP… > 40 C7 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001855058AFD0, 16 bytes long.
Data: < ÇXP… > 18 C7 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001855058A6C0, 16 bytes long.
Data: <ðÆXP… > F0 C6 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018550599310, 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 0x000001855058A670, 16 bytes long.
Data: <(¥YP… > 28 A5 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000185505A2D50, 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 0x000001855058AE90, 16 bytes long.
Data: < ¥YP… > 00 A5 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001855058B160, 16 bytes long.
Data: <ؤYP… > D8 A4 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001855058B2A0, 16 bytes long.
Data: <°¤YP… > B0 A4 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001855058B250, 16 bytes long.
Data: < ¤YP… > 88 A4 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001855058A530, 16 bytes long.
Data: <`¤YP… > 60 A4 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001855058AF80, 16 bytes long.
Data: <8¤YP… > 38 A4 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000185505A3110, 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 0x000001855058B3E0, 16 bytes long.
Data: < ¤YP… > 10 A4 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001855059A410, 320 bytes long.
Data: <à³XP… 1ZP… > E0 B3 58 50 85 01 00 00 10 31 5A 50 85 01 00 00
{276} normal block at 0x000001855058A5D0, 16 bytes long.
Data: <ÐÆXP… > D0 C6 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001855058ACB0, 16 bytes long.
Data: <¨ÆXP… > A8 C6 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000185505A3C50, 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 0x000001855058A580, 16 bytes long.
Data: < ÆXP… > 80 C6 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000185505A3950, 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 0x000001855058B0C0, 16 bytes long.
Data: <ÈÅXP… > C8 C5 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001855058AE40, 16 bytes long.
Data: < ÅXP… > A0 C5 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001855058ADF0, 16 bytes long.
Data: <xÅXP… > 78 C5 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001855058B390, 16 bytes long.
Data: <PÅXP… > 50 C5 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001855058AC60, 16 bytes long.
Data: <(ÅXP… > 28 C5 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001855058B2F0, 16 bytes long.
Data: < ÅXP… > 00 C5 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001855058B200, 16 bytes long.
Data: < ’YP… > A0 92 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000185505992A0, 40 bytes long.
Data: < ²XP…   ;R… > 00 B2 58 50 85 01 00 00 A0 1B 3B 52 85 01 00 00
{262} normal block at 0x000001855058AB70, 16 bytes long.
Data: <àÄXP… > E0 C4 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001855058AC10, 16 bytes long.
Data: <¸ÄXP… > B8 C4 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000185505A3B90, 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 0x000001855058A850, 16 bytes long.
Data: < ÄXP… > 90 C4 58 50 85 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001855058C490, 992 bytes long.
Data: <P¨XP… ;ZP… > 50 A8 58 50 85 01 00 00 90 3B 5A 50 85 01 00 00
{94} normal block at 0x0000018550586880, 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 0x000001855058B110, 16 bytes long.
Data: <0 YP… > 30 99 59 50 85 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000018550599930, 40 bytes long.
Data: < ±XP… hXP… > 10 B1 58 50 85 01 00 00 80 68 58 50 85 01 00 00
{71} normal block at 0x000001855058A620, 16 bytes long.
Data: < êѳ÷ > 80 EA D1 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001855058A710, 16 bytes long.
Data: <@éѳ÷ > 40 E9 D1 B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001855058ADA0, 16 bytes long.
Data: <øWγ÷ > F8 57 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001855059BD30, 16 bytes long.
Data: <ØWγ÷ > D8 57 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001855059BCE0, 16 bytes long.
Data: <P γ÷ > 50 04 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001855059BB50, 16 bytes long.
Data: <0 γ÷ > 30 04 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001855059BB00, 16 bytes long.
Data: <à γ÷ > E0 02 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001855059BA60, 16 bytes long.
Data: < γ÷ > 10 04 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001855059BC90, 16 bytes long.
Data: <p γ÷ > 70 04 CE B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001855059BA10, 16 bytes long.
Data: < À̳÷ > 18 C0 CC B3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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