Task 38597917
| Name | p38_A04_A15_r0_2-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND8754_1 |
| Workunit | 31553093 |
| Created | 8 Apr 2026, 8:25:25 UTC |
| Sent | 8 Apr 2026, 8:47:03 UTC |
| Report deadline | 13 Apr 2026, 8:47:03 UTC |
| Received | 8 Apr 2026, 19:21:13 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 624957 |
| Run time | 9 hours 33 min 25 sec |
| CPU time | 9 hours 29 min 36 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,882.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 580.32 MB |
| Peak swap size | 7.00 GB |
| Peak disk usage | 3.01 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
04:47:28 (17272): wrapper (7.9.26016): starting
04:47:28 (17272): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A15_0.pdb
QB_A04_A15_0.xml
QB_A04_A15.inpcrd
QB_A04_A15_input.yaml
QB_A04_A15.pdb
QB_A04_A15.prmtop
QB_A04_A15_sys.xml
run.bat
run.sh
04:47:30 (17272): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:47:30 (17272): 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\14\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\14\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\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\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\14\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\14\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
14:19:22 (17272): C:/Windows/system32/cmd.exe exited; CPU time 34176.640625
14:19:22 (17272): app exit status: 0x16
14:19:22 (17272): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 543304539 bytes.
Dumping objects ->
{3835202} normal block at 0x000001A1C4878C00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000001A1C2C26470, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001A1C2C26320, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835169} normal block at 0x000001A1C2C261D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x000001A1C2C262B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835127} normal block at 0x000001A1C4888070, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835114} normal block at 0x000001A1C2C1D2A0, 8 bytes long.
Data: < ¹Â¡ > 00 00 B9 C2 A1 01 00 00
{3833965} normal block at 0x000001A1C2C1D390, 8 bytes long.
Data: <`×À¡ > 60 D7 C0 C2 A1 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001A1C2C10870, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001A1C2C12060, 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 0x000001A1C2C26FA0, 16 bytes long.
Data: < {¡ > 08 7B C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001A1C2C26E60, 16 bytes long.
Data: <àz¡ > E0 7A C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A1C2C210B0, 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 0x000001A1C2C27680, 16 bytes long.
Data: <¸z¡ > B8 7A C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A1C2C27090, 16 bytes long.
Data: < z¡ > 90 7A C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A1C2C26CD0, 16 bytes long.
Data: <hz¡ > 68 7A C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A1C2C26C30, 16 bytes long.
Data: <@z¡ > 40 7A C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A1C2C26400, 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 0x000001A1C2C26F50, 16 bytes long.
Data: < îÀ¡ > 18 EE C0 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A1C2C20E70, 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 0x000001A1C2C27040, 16 bytes long.
Data: <ðíÀ¡ > F0 ED C0 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A1C2C275E0, 16 bytes long.
Data: <ÈíÀ¡ > C8 ED C0 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A1C2C270E0, 16 bytes long.
Data: < íÀ¡ > A0 ED C0 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A1C2C26F00, 16 bytes long.
Data: <xíÀ¡ > 78 ED C0 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A1C2C272C0, 16 bytes long.
Data: <PíÀ¡ > 50 ED C0 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A1C2C27310, 16 bytes long.
Data: <(íÀ¡ > 28 ED C0 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A1C2C20FF0, 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 0x000001A1C2C27270, 16 bytes long.
Data: < íÀ¡ > 00 ED C0 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A1C2C0ED00, 320 bytes long.
Data: <pr¡ ð ¡ > 70 72 C2 C2 A1 01 00 00 F0 0F C2 C2 A1 01 00 00
{278} normal block at 0x000001A1C2C27630, 16 bytes long.
Data: < z¡ > 20 7A C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A1C2C27590, 16 bytes long.
Data: <øy¡ > F8 79 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A1C2C21590, 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 0x000001A1C2C27220, 16 bytes long.
Data: <Ðy¡ > D0 79 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A1C2C20BD0, 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 0x000001A1C2C27540, 16 bytes long.
Data: < y¡ > 18 79 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A1C2C26D20, 16 bytes long.
Data: <ðx¡ > F0 78 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A1C2C26C80, 16 bytes long.
Data: <Èx¡ > C8 78 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A1C2C26820, 16 bytes long.
Data: < x¡ > A0 78 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A1C2C26D70, 16 bytes long.
Data: <xx¡ > 78 78 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A1C2C274F0, 16 bytes long.
Data: <Px¡ > 50 78 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A1C2C26FF0, 16 bytes long.
Data: < c¡ > 90 63 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A1C2C26390, 40 bytes long.
Data: <ðo¡ p Ä¡ > F0 6F C2 C2 A1 01 00 00 70 80 88 C4 A1 01 00 00
{264} normal block at 0x000001A1C2C26910, 16 bytes long.
Data: <0x¡ > 30 78 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A1C2C26EB0, 16 bytes long.
Data: < x¡ > 08 78 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A1C2C21050, 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 0x000001A1C2C26E10, 16 bytes long.
Data: <àw¡ > E0 77 C2 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A1C2C277E0, 992 bytes long.
Data: < n¡ P ¡ > 10 6E C2 C2 A1 01 00 00 50 10 C2 C2 A1 01 00 00
{96} normal block at 0x000001A1C2C21230, 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 0x000001A1C2C1DA70, 16 bytes long.
Data: < Á¡ > 90 03 C1 C2 A1 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001A1C2C10390, 40 bytes long.
Data: <pÚÁ¡ 0 ¡ > 70 DA C1 C2 A1 01 00 00 30 12 C2 C2 A1 01 00 00
{73} normal block at 0x000001A1C2C1D7A0, 16 bytes long.
Data: < ês¸÷ > 80 EA 73 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001A1C2C1DB60, 16 bytes long.
Data: <@és¸÷ > 40 E9 73 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A1C2C1DF20, 16 bytes long.
Data: <øWp¸÷ > F8 57 70 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A1C2C1D570, 16 bytes long.
Data: <ØWp¸÷ > D8 57 70 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A1C2C1D6B0, 16 bytes long.
Data: <P p¸÷ > 50 04 70 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A1C2C1D9D0, 16 bytes long.
Data: <0 p¸÷ > 30 04 70 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A1C2C1D610, 16 bytes long.
Data: <à p¸÷ > E0 02 70 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A1C2C1DE30, 16 bytes long.
Data: < p¸÷ > 10 04 70 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A1C2C1D520, 16 bytes long.
Data: <p p¸÷ > 70 04 70 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A1C2C1D750, 16 bytes long.
Data: < Àn¸÷ > 18 C0 6E B8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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