Task 38627547
| Name | cdk8_A25_A18_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND1063_1 |
| Workunit | 31577386 |
| Created | 24 Apr 2026, 12:16:43 UTC |
| Sent | 24 Apr 2026, 12:17:29 UTC |
| Report deadline | 29 Apr 2026, 12:17:29 UTC |
| Received | 24 Apr 2026, 12:27:51 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643187 |
| Run time | 1 min 3 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 16,206.13 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 588.66 MB |
| Peak swap size | 6.42 GB |
| Peak disk usage | 1.52 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>
19:26:27 (6756): wrapper (7.9.26016): starting
19:26:27 (6756): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A18.inpcrd
QB_A25_A18_input.yaml
QB_A25_A18.pdb
QB_A25_A18.prmtop
QB_A25_A18_sys.xml
run.bat
run.sh
19:26:28 (6756): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:26:28 (6756): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\1\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\1\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_A25_A18_0.xml'
19:26:46 (6756): C:/Windows/system32/cmd.exe exited; CPU time 2.984375
19:26:46 (6756): app exit status: 0x16
19:26:46 (6756): 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: 378609 bytes.
Dumping objects ->
{3835220} normal block at 0x0000028F716A16B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x0000028F716A08B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x0000028F716A0FB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835187} normal block at 0x0000028F716A12C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x0000028F716A13A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835145} normal block at 0x0000028F71797810, 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) : {3835132} normal block at 0x0000028F6FBEEAD0, 8 bytes long.
Data: < úo > 00 00 FA 6F 8F 02 00 00
{3833981} normal block at 0x0000028F6FBEE7B0, 8 bytes long.
Data: <pæ½o > 70 E6 BD 6F 8F 02 00 00
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x0000028F6FBE1A60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000028F6FBE2BE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{306} normal block at 0x0000028F6FBF8F40, 16 bytes long.
Data: < –¿o > 98 96 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000028F6FBF83B0, 16 bytes long.
Data: <p–¿o > 70 96 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000028F6FBF0A30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{303} normal block at 0x0000028F6FBF8EF0, 16 bytes long.
Data: <H–¿o > 48 96 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000028F6FBF87C0, 16 bytes long.
Data: < –¿o > 20 96 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000028F6FBF8EA0, 16 bytes long.
Data: <ø•¿o > F8 95 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000028F6FBF8540, 16 bytes long.
Data: <Е¿o > D0 95 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000028F6FBF1E60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{298} normal block at 0x0000028F6FBF8E50, 16 bytes long.
Data: <È ¾o > C8 01 BE 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000028F6FBF0F70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{296} normal block at 0x0000028F6FBF8770, 16 bytes long.
Data: <  ¾o > A0 01 BE 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028F6FBF9030, 16 bytes long.
Data: <x ¾o > 78 01 BE 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028F6FBF8A40, 16 bytes long.
Data: <P ¾o > 50 01 BE 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028F6FBF8400, 16 bytes long.
Data: <( ¾o > 28 01 BE 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028F6FBF8E00, 16 bytes long.
Data: < ¾o > 00 01 BE 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028F6FBF85E0, 16 bytes long.
Data: <Ø ¾o > D8 00 BE 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028F6FBF0AF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{288} normal block at 0x0000028F6FBF8860, 16 bytes long.
Data: <° ¾o > B0 00 BE 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028F6FBE00B0, 320 bytes long.
Data: <` ¿o ð ¿o > 60 88 BF 6F 8F 02 00 00 F0 0A BF 6F 8F 02 00 00
{286} normal block at 0x0000028F6FBF84F0, 16 bytes long.
Data: <°•¿o > B0 95 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028F6FBF8900, 16 bytes long.
Data: < •¿o > 88 95 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028F6FBF0970, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{283} normal block at 0x0000028F6FBF8D60, 16 bytes long.
Data: <`•¿o > 60 95 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028F6FBF1270, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{281} normal block at 0x0000028F6FBF9210, 16 bytes long.
Data: <¨”¿o > A8 94 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028F6FBF8720, 16 bytes long.
Data: < ”¿o > 80 94 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028F6FBF86D0, 16 bytes long.
Data: <X”¿o > 58 94 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028F6FBF9300, 16 bytes long.
Data: <0”¿o > 30 94 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028F6FBF8C70, 16 bytes long.
Data: < ”¿o > 08 94 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028F6FBF8F90, 16 bytes long.
Data: <à“¿o > E0 93 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028F6FBF91C0, 16 bytes long.
Data: <p ¿o > 70 1A BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028F6FBF1A70, 40 bytes long.
Data: <À‘¿o xyq > C0 91 BF 6F 8F 02 00 00 10 78 79 71 8F 02 00 00
{272} normal block at 0x0000028F6FBF8AE0, 16 bytes long.
Data: <À“¿o > C0 93 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028F6FBF89F0, 16 bytes long.
Data: < “¿o > 98 93 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028F6FBF1570, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{269} normal block at 0x0000028F6FBF8450, 16 bytes long.
Data: <p“¿o > 70 93 BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028F6FBF9370, 992 bytes long.
Data: <P„¿o p ¿o > 50 84 BF 6F 8F 02 00 00 70 15 BF 6F 8F 02 00 00
{104} normal block at 0x0000028F6FBF0910, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{103} normal block at 0x0000028F6FBEF160, 16 bytes long.
Data: <À ¿o > C0 1B BF 6F 8F 02 00 00 00 00 00 00 00 00 00 00
{102} normal block at 0x0000028F6FBF1BC0, 40 bytes long.
Data: <`ñ¾o ¿o > 60 F1 BE 6F 8F 02 00 00 10 09 BF 6F 8F 02 00 00
{81} normal block at 0x0000028F6FBEECB0, 16 bytes long.
Data: < êŒ[÷ > 80 EA 8C 5B F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000028F6FBEF070, 16 bytes long.
Data: <@éŒ[÷ > 40 E9 8C 5B F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000028F6FBEF520, 16 bytes long.
Data: <øW‰[÷ > F8 57 89 5B F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000028F6FBEEEE0, 16 bytes long.
Data: <ØW‰[÷ > D8 57 89 5B F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000028F6FBEEE90, 16 bytes long.
Data: <P ‰[÷ > 50 04 89 5B F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000028F6FBEEA30, 16 bytes long.
Data: <0 ‰[÷ > 30 04 89 5B F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000028F6FBEE6C0, 16 bytes long.
Data: <à ‰[÷ > E0 02 89 5B F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000028F6FBEF570, 16 bytes long.
Data: < ‰[÷ > 10 04 89 5B F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000028F6FBEEC60, 16 bytes long.
Data: <p ‰[÷ > 70 04 89 5B F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000028F6FBEE940, 16 bytes long.
Data: < À‡[÷ > 18 C0 87 5B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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