Task 38600545
| Name | BACE_A19_A30_r0_1-QUICO_ATM_GAFF2_NAGL_BACE-1-6-RND2199_0 |
| Workunit | 31555248 |
| Created | 9 Apr 2026, 4:31:00 UTC |
| Sent | 9 Apr 2026, 4:31:03 UTC |
| Report deadline | 14 Apr 2026, 4:31:03 UTC |
| Received | 9 Apr 2026, 4:35:33 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 624957 |
| Run time | 3 min 7 sec |
| CPU time | 5 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 | 243.63 MB |
| Peak swap size | 5.90 GB |
| Peak disk usage | 2.82 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>
23:32:49 (1512): wrapper (7.9.26016): starting
23:32:49 (1512): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A30_0.pdb
QB_A19_A30_0.xml
QB_A19_A30.inpcrd
QB_A19_A30_input.yaml
QB_A19_A30.pdb
QB_A19_A30.prmtop
QB_A19_A30_sys.xml
run.bat
run.sh
23:32:51 (1512): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:32:51 (1512): 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 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\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\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
23:34:23 (1512): C:/Windows/system32/cmd.exe exited; CPU time 5.015625
23:34:23 (1512): app exit status: 0x16
23:34:23 (1512): 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: 1263455 bytes.
Dumping objects ->
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{3835191} normal block at 0x000002C7A9BFCD80, 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 0x000002C7A9BFD3A0, 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 0x000002C7A7F53C30, 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 0x000002C7A7F53D80, 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 0x000002C7A9C48060, 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 0x000002C7A7F4D8A0, 8 bytes long.
Data: < A¨Ç > 00 00 41 A8 C7 02 00 00
{3833965} normal block at 0x000002C7A7F4D530, 8 bytes long.
Data: <ðê ¨Ç > F0 EA 02 A8 C7 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002C7A7F41190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002C7A7F41C40, 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 0x000002C7A7F55E10, 16 bytes long.
Data: <ègõ§Ç > E8 67 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002C7A7F55870, 16 bytes long.
Data: <Àgõ§Ç > C0 67 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002C7A7F50B50, 32 bytes long.
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{295} normal block at 0x000002C7A7F56270, 16 bytes long.
Data: < gõ§Ç > 98 67 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002C7A7F56220, 16 bytes long.
Data: <pgõ§Ç > 70 67 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002C7A7F56310, 16 bytes long.
Data: <Hgõ§Ç > 48 67 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002C7A7F56090, 16 bytes long.
Data: < gõ§Ç > 20 67 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002C7A7F53F40, 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 0x000002C7A7F56040, 16 bytes long.
Data: <ø õ§Ç > F8 08 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002C7A7F518D0, 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 0x000002C7A7F557D0, 16 bytes long.
Data: <Ð õ§Ç > D0 08 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C7A7F558C0, 16 bytes long.
Data: <¨ õ§Ç > A8 08 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002C7A7F55D70, 16 bytes long.
Data: < õ§Ç > 80 08 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C7A7F561D0, 16 bytes long.
Data: <X õ§Ç > 58 08 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C7A7F55D20, 16 bytes long.
Data: <0 õ§Ç > 30 08 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C7A7F55780, 16 bytes long.
Data: < õ§Ç > 08 08 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C7A7F517B0, 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 0x000002C7A7F55FF0, 16 bytes long.
Data: <à õ§Ç > E0 07 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C7A7F507E0, 320 bytes long.
Data: <ð_õ§Ç ° õ§Ç > F0 5F F5 A7 C7 02 00 00 B0 17 F5 A7 C7 02 00 00
{278} normal block at 0x000002C7A7F562C0, 16 bytes long.
Data: < gõ§Ç > 00 67 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002C7A7F555F0, 16 bytes long.
Data: <Øfõ§Ç > D8 66 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C7A7F51750, 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 0x000002C7A7F555A0, 16 bytes long.
Data: <°fõ§Ç > B0 66 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C7A7F50D90, 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 0x000002C7A7F55F50, 16 bytes long.
Data: <øeõ§Ç > F8 65 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C7A7F55550, 16 bytes long.
Data: <Ðeõ§Ç > D0 65 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C7A7F56400, 16 bytes long.
Data: <¨eõ§Ç > A8 65 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002C7A7F556E0, 16 bytes long.
Data: < eõ§Ç > 80 65 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C7A7F55910, 16 bytes long.
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{268} normal block at 0x000002C7A7F55F00, 16 bytes long.
Data: <0eõ§Ç > 30 65 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C7A7F55820, 16 bytes long.
Data: <ð=õ§Ç > F0 3D F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002C7A7F53DF0, 40 bytes long.
Data: < Xõ§Ç ` Ä©Ç > 20 58 F5 A7 C7 02 00 00 60 80 C4 A9 C7 02 00 00
{264} normal block at 0x000002C7A7F55E60, 16 bytes long.
Data: < eõ§Ç > 10 65 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002C7A7F55690, 16 bytes long.
Data: <èdõ§Ç > E8 64 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C7A7F50CD0, 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 0x000002C7A7F560E0, 16 bytes long.
Data: <Àdõ§Ç > C0 64 F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C7A7F564C0, 992 bytes long.
Data: <à`õ§Ç Ð õ§Ç > E0 60 F5 A7 C7 02 00 00 D0 0C F5 A7 C7 02 00 00
{96} normal block at 0x000002C7A7F515D0, 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 0x000002C7A7F4DCB0, 16 bytes long.
Data: < :õ§Ç > 00 3A F5 A7 C7 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002C7A7F53A00, 40 bytes long.
Data: <°Üô§Ç Ð õ§Ç > B0 DC F4 A7 C7 02 00 00 D0 15 F5 A7 C7 02 00 00
{73} normal block at 0x000002C7A7F4DD00, 16 bytes long.
Data: < êuNö > 80 EA 75 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002C7A7F4D170, 16 bytes long.
Data: <@éuNö > 40 E9 75 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002C7A7F4DA30, 16 bytes long.
Data: <øWrNö > F8 57 72 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002C7A7F4DF30, 16 bytes long.
Data: <ØWrNö > D8 57 72 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002C7A7F4DC60, 16 bytes long.
Data: <P rNö > 50 04 72 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002C7A7F4D300, 16 bytes long.
Data: <0 rNö > 30 04 72 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002C7A7F4D800, 16 bytes long.
Data: <à rNö > E0 02 72 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002C7A7F4DF80, 16 bytes long.
Data: < rNö > 10 04 72 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002C7A7F4D710, 16 bytes long.
Data: <p rNö > 70 04 72 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002C7A7F4D990, 16 bytes long.
Data: < ÀpNö > 18 C0 70 4E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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