Task 38628413
| Name | cdk8_A31_A19_r0_1-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND0149_3 |
| Workunit | 31577426 |
| Created | 24 Apr 2026, 18:35:07 UTC |
| Sent | 24 Apr 2026, 18:35:14 UTC |
| Report deadline | 29 Apr 2026, 18:35:14 UTC |
| Received | 24 Apr 2026, 19:08:40 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 625441 |
| Run time | 1 min 12 sec |
| CPU time | 37 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,159.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 373.46 MB |
| Peak swap size | 4.70 GB |
| Peak disk usage | 1.44 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:37:13 (28948): wrapper (7.9.26016): starting
13:37:13 (28948): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A19.inpcrd
QB_A31_A19_input.yaml
QB_A31_A19.pdb
QB_A31_A19.prmtop
QB_A31_A19_sys.xml
run.bat
run.sh
13:37:14 (28948): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:37:14 (28948): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835159} normal block at 0x0000024EDB9AD730, 8 bytes long.
Data: < N > 00 00 97 DB 4E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x0000024EDB99D8A0, 1080 bytes long.
Data: < > E4 08 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024EDB99FE60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:05:54 (26096): wrapper (7.9.26016): starting
14:05:54 (26096): 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\7\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\7\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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\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\7\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
self.simulation.loadState(self.basename + "_0.xml")
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\app\simulation.py", line 359, in loadState
with open(file, 'r') as f:
^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A31_A19_0.xml'
14:07:03 (26096): C:/Windows/system32/cmd.exe exited; CPU time 37.328125
14:07:03 (26096): app exit status: 0x16
14:07:03 (26096): 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: 1238236 bytes.
Dumping objects ->
{1595} normal block at 0x000001D38DFF71D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1584} normal block at 0x000001D38DFF74E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1573} normal block at 0x000001D38DFF7550, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1562} normal block at 0x000001D38DFF7160, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1551} normal block at 0x000001D38DFF7470, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1520} normal block at 0x000001D38DFDFFD0, 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) : {1507} normal block at 0x000001D38DFF7AF0, 8 bytes long.
Data: < > 00 00 FC 8D D3 01 00 00
{303} normal block at 0x000001D38DFF7CD0, 8 bytes long.
Data: < > 00 8C FF 8D D3 01 00 00
{294} normal block at 0x000001D38DFE1DE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001D38DFF86D0, 16 bytes long.
Data: < > 08 8B FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D38DFF79B0, 16 bytes long.
Data: < > E0 8A FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D38DFF3CC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001D38DFF8180, 16 bytes long.
Data: < > B8 8A FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D38DFF8630, 16 bytes long.
Data: < > 90 8A FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D38DFF7AA0, 16 bytes long.
Data: <h > 68 8A FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D38DFF7C30, 16 bytes long.
Data: <@ > 40 8A FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D38DFF75C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001D38DFF7960, 16 bytes long.
Data: < > C8 F3 FD 8D D3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D38DFF3660, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001D38DFF85E0, 16 bytes long.
Data: < > A0 F3 FD 8D D3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D38DFF8130, 16 bytes long.
Data: <x > 78 F3 FD 8D D3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D38DFF7FF0, 16 bytes long.
Data: <P > 50 F3 FD 8D D3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D38DFF7B40, 16 bytes long.
Data: <( > 28 F3 FD 8D D3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D38DFF8400, 16 bytes long.
Data: < > 00 F3 FD 8D D3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D38DFF8360, 16 bytes long.
Data: < > D8 F2 FD 8D D3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D38DFF3840, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001D38DFF80E0, 16 bytes long.
Data: < > B0 F2 FD 8D D3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D38DFDF2B0, 320 bytes long.
Data: < @8 > E0 80 FF 8D D3 01 00 00 40 38 FF 8D D3 01 00 00
{273} normal block at 0x000001D38DFF7870, 16 bytes long.
Data: < > 20 8A FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D38DFF7910, 16 bytes long.
Data: < > F8 89 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D38DFF3720, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001D38DFF8090, 16 bytes long.
Data: < > D0 89 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D38DFF3A20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001D38DFF8270, 16 bytes long.
Data: < > 18 89 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D38DFF8720, 16 bytes long.
Data: < > F0 88 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D38DFF7F00, 16 bytes long.
Data: < > C8 88 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D38DFF8680, 16 bytes long.
Data: < > A0 88 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D38DFF8540, 16 bytes long.
Data: <x > 78 88 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D38DFF8590, 16 bytes long.
Data: <P > 50 88 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D38DFF7BE0, 16 bytes long.
Data: <0v > 30 76 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D38DFF7630, 40 bytes long.
Data: < { > E0 7B FF 8D D3 01 00 00 D0 FF FD 8D D3 01 00 00
{259} normal block at 0x000001D38DFF8450, 16 bytes long.
Data: <0 > 30 88 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D38DFF84A0, 16 bytes long.
Data: < > 08 88 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D38DFF2F40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001D38DFF8310, 16 bytes long.
Data: < > E0 87 FF 8D D3 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001D38DFF87E0, 992 bytes long.
Data: < @/ > 10 83 FF 8D D3 01 00 00 40 2F FF 8D D3 01 00 00
{91} normal block at 0x000001D38DFF37E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001D38DFEFBA0, 16 bytes long.
Data: < > B0 C2 FD 8D D3 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001D38DFDC2B0, 40 bytes long.
Data: < 7 > A0 FB FE 8D D3 01 00 00 E0 37 FF 8D D3 01 00 00
{68} normal block at 0x000001D38DFEFBF0, 16 bytes long.
Data: < 5 > 80 EA 1E 35 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D38DFEF7E0, 16 bytes long.
Data: <@ 5 > 40 E9 1E 35 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D38DFEFDD0, 16 bytes long.
Data: < W 5 > F8 57 1B 35 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D38DFEF790, 16 bytes long.
Data: < W 5 > D8 57 1B 35 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D38DFEFFB0, 16 bytes long.
Data: <P 5 > 50 04 1B 35 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D38DFF00A0, 16 bytes long.
Data: <0 5 > 30 04 1B 35 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D38DFEF6F0, 16 bytes long.
Data: < 5 > E0 02 1B 35 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D38DFEF380, 16 bytes long.
Data: < 5 > 10 04 1B 35 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D38DFEF4C0, 16 bytes long.
Data: <p 5 > 70 04 1B 35 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D38DFEF560, 16 bytes long.
Data: < 5 > 18 C0 19 35 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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