Task 38596535
| Name | BACE_A05_A03_r0_3-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND0599_0 |
| Workunit | 31552487 |
| Created | 8 Apr 2026, 7:26:51 UTC |
| Sent | 8 Apr 2026, 7:26:54 UTC |
| Report deadline | 13 Apr 2026, 7:26:54 UTC |
| Received | 8 Apr 2026, 7:32:40 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 505468 |
| Run time | 3 min 4 sec |
| CPU time | 3 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,611.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 53.88 MB |
| Peak swap size | 5.68 GB |
| Peak disk usage | 2.63 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann <sporadic_ac> nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:29:47 (1948): wrapper (7.9.26016): starting
09:29:47 (1948): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A03_0.pdb
QB_A05_A03_0.xml
QB_A05_A03.inpcrd
QB_A05_A03_input.yaml
QB_A05_A03.pdb
QB_A05_A03.prmtop
QB_A05_A03_sys.xml
run.bat
run.sh
09:29:49 (1948): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:29:49 (1948): 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 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\8\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\8\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\8\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
09:30:27 (1948): C:/Windows/system32/cmd.exe exited; CPU time 3.187500
09:30:27 (1948): app exit status: 0x16
09:30:27 (1948): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 957291 bytes.
Dumping objects ->
{3836872} normal block at 0x00000250B20E6760, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836861} normal block at 0x00000250B20E65A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836850} normal block at 0x00000250B20E66F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3836839} normal block at 0x00000250B20E64C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836828} normal block at 0x00000250B20E73A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3836797} normal block at 0x00000250B3C9C8F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836786} normal block at 0x00000250B219DF40, 141 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) : {3836783} normal block at 0x00000250B20B8940, 8 bytes long.
Data: < ²P > 00 00 07 B2 50 02 00 00
{3835487} normal block at 0x00000250B219E350, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000250B20B7E50, 8 bytes long.
Data: < ³P > 20 0D C2 B3 50 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000250B20BE3F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000250B20A6380, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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{293} normal block at 0x00000250B20C3610, 16 bytes long.
Data: <ÐB ²P > D0 42 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000250B20BD710, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
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Data: <¨B ²P > A8 42 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000250B20C3840, 16 bytes long.
Data: < B ²P > 80 42 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000250B20C3980, 16 bytes long.
Data: <XB ²P > 58 42 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000250B20C3520, 16 bytes long.
Data: <0B ²P > 30 42 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000250B20BED80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000250B20C34D0, 16 bytes long.
Data: <h· ²P > 68 B7 0A B2 50 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000250B20BD230, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000250B20C3070, 16 bytes long.
Data: <@· ²P > 40 B7 0A B2 50 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000250B20C3430, 16 bytes long.
Data: < · ²P > 18 B7 0A B2 50 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000250B20C33E0, 16 bytes long.
Data: <𶠲P > F0 B6 0A B2 50 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000250B20C3020, 16 bytes long.
Data: <ȶ ²P > C8 B6 0A B2 50 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000250B20C2FD0, 16 bytes long.
Data: < ¶ ²P > A0 B6 0A B2 50 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000250B20C2F80, 16 bytes long.
Data: <x¶ ²P > 78 B6 0A B2 50 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000250B20BCF90, 32 bytes long.
Data: <CUDA_DEVICE=8 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 38 00 50 55
{276} normal block at 0x00000250B20C32A0, 16 bytes long.
Data: <P¶ ²P > 50 B6 0A B2 50 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000250B20AB650, 320 bytes long.
Data: < 2 ²P Ï ²P > A0 32 0C B2 50 02 00 00 90 CF 0B B2 50 02 00 00
{274} normal block at 0x00000250B20C2D00, 16 bytes long.
Data: < B ²P > 10 42 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000250B20C2D50, 16 bytes long.
Data: <èA ²P > E8 41 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000250B20BCED0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000250B20C37F0, 16 bytes long.
Data: <ÀA ²P > C0 41 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000250B20BD0B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000250B20C3340, 16 bytes long.
Data: < A ²P > 08 41 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000250B20C2F30, 16 bytes long.
Data: <à@ ²P > E0 40 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000250B20C3570, 16 bytes long.
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{266} normal block at 0x00000250B20C3A20, 16 bytes long.
Data: < @ ²P > 90 40 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000250B20C2DF0, 16 bytes long.
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{264} normal block at 0x00000250B20C3A70, 16 bytes long.
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{262} normal block at 0x00000250B20C2C10, 16 bytes long.
Data: < é ²P > 90 E9 0B B2 50 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000250B20BE990, 40 bytes long.
Data: < , ²P ðÈɳP > 10 2C 0C B2 50 02 00 00 F0 C8 C9 B3 50 02 00 00
{260} normal block at 0x00000250B20C2E90, 16 bytes long.
Data: < @ ²P > 20 40 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000250B20C36B0, 16 bytes long.
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{258} normal block at 0x00000250B20BD050, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000250B20C31B0, 16 bytes long.
Data: <Ð? ²P > D0 3F 0C B2 50 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000250B20C3FD0, 992 bytes long.
Data: <°1 ²P PÐ ²P > B0 31 0C B2 50 02 00 00 50 D0 0B B2 50 02 00 00
{92} normal block at 0x00000250B20BC990, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000250B20B8800, 16 bytes long.
Data: <àê ²P > E0 EA 0B B2 50 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000250B20BEAE0, 40 bytes long.
Data: < ²P É ²P > 00 88 0B B2 50 02 00 00 90 C9 0B B2 50 02 00 00
{69} normal block at 0x00000250B20B87B0, 16 bytes long.
Data: < êDN÷ > 80 EA 44 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000250B20B85D0, 16 bytes long.
Data: <@éDN÷ > 40 E9 44 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000250B20B88A0, 16 bytes long.
Data: <øWAN÷ > F8 57 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000250B20B8260, 16 bytes long.
Data: <ØWAN÷ > D8 57 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000250B20B8850, 16 bytes long.
Data: <P AN÷ > 50 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000250B20B8760, 16 bytes long.
Data: <0 AN÷ > 30 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000250B20B8530, 16 bytes long.
Data: <à AN÷ > E0 02 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000250B20B84E0, 16 bytes long.
Data: < AN÷ > 10 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000250B20B7CC0, 16 bytes long.
Data: <p AN÷ > 70 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000250B20B7DB0, 16 bytes long.
Data: < À?N÷ > 18 C0 3F 4E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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