Task 38625556
| Name | cdk8_A06_A26_r0_4-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND0022_1 |
| Workunit | 31575182 |
| Created | 23 Apr 2026, 19:35:42 UTC |
| Sent | 23 Apr 2026, 19:35:50 UTC |
| Report deadline | 28 Apr 2026, 19:35:50 UTC |
| Received | 24 Apr 2026, 2:26:27 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 580989 |
| Run time | 1 min 33 sec |
| CPU time | 12 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 31,243.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 204.89 MB |
| Peak swap size | 12.04 GB |
| Peak disk usage | 4.14 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
04:24:02 (37372): wrapper (7.9.26016): starting
04:24:02 (37372): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A26.inpcrd
QB_A06_A26_input.yaml
QB_A06_A26.pdb
QB_A06_A26.prmtop
QB_A06_A26_sys.xml
run.bat
run.sh
04:24:03 (37372): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:24:03 (37372): 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\3\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\3\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\3\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\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\3\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\3\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\3\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_A06_A26_0.xml'
04:24:30 (37372): C:/Windows/system32/cmd.exe exited; CPU time 12.578125
04:24:30 (37372): app exit status: 0x16
04:24:30 (37372): 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: 523611 bytes.
Dumping objects ->
{3835250} normal block at 0x000001827BB20F40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x000001827BB20ED0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x000001827BB211E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835217} normal block at 0x000001827BB21560, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x000001827BB20A00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835175} normal block at 0x000001827BBCBF70, 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) : {3835162} normal block at 0x0000018279F07340, 8 bytes long.
Data: < ìy‚ > 00 00 EC 79 82 01 00 00
{3833957} normal block at 0x0000018279F06B70, 8 bytes long.
Data: <Ð µ{‚ > D0 10 B5 7B 82 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018279F115B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018279F124F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000018279F12C80, 16 bytes long.
Data: <Ø<ñy‚ > D8 3C F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018279F12BE0, 16 bytes long.
Data: <°<ñy‚ > B0 3C F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018279F0BA20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000018279F132C0, 16 bytes long.
Data: < <ñy‚ > 88 3C F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018279F13540, 16 bytes long.
Data: <`<ñy‚ > 60 3C F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018279F13220, 16 bytes long.
Data: <8<ñy‚ > 38 3C F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000018279F12AF0, 16 bytes long.
Data: < <ñy‚ > 10 3C F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018279F0D4C0, 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 0x0000018279F129B0, 16 bytes long.
Data: < $ñy‚ > 88 24 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018279F0C380, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000018279F12DC0, 16 bytes long.
Data: <`$ñy‚ > 60 24 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018279F134F0, 16 bytes long.
Data: <8$ñy‚ > 38 24 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018279F12E10, 16 bytes long.
Data: < $ñy‚ > 10 24 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018279F134A0, 16 bytes long.
Data: <è#ñy‚ > E8 23 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018279F12910, 16 bytes long.
Data: <À#ñy‚ > C0 23 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018279F13090, 16 bytes long.
Data: < #ñy‚ > 98 23 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018279F0B840, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000018279F12B40, 16 bytes long.
Data: <p#ñy‚ > 70 23 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018279F12370, 320 bytes long.
Data: <@+ñy‚ @¸ðy‚ > 40 2B F1 79 82 01 00 00 40 B8 F0 79 82 01 00 00
{274} normal block at 0x0000018279F13040, 16 bytes long.
Data: <ð;ñy‚ > F0 3B F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018279F128C0, 16 bytes long.
Data: <È;ñy‚ > C8 3B F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018279F0B9C0, 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 0x0000018279F13180, 16 bytes long.
Data: < ;ñy‚ > A0 3B F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018279F0BBA0, 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 0x0000018279F12AA0, 16 bytes long.
Data: <è:ñy‚ > E8 3A F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018279F13270, 16 bytes long.
Data: <À:ñy‚ > C0 3A F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018279F12870, 16 bytes long.
Data: < :ñy‚ > 98 3A F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018279F12820, 16 bytes long.
Data: <p:ñy‚ > 70 3A F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018279F12FF0, 16 bytes long.
Data: <H:ñy‚ > 48 3A F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018279F12F00, 16 bytes long.
Data: < :ñy‚ > 20 3A F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000018279F12780, 16 bytes long.
Data: < Öðy‚ > 10 D6 F0 79 82 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018279F0D610, 40 bytes long.
Data: < 'ñy‚ p¿¼{‚ > 80 27 F1 79 82 01 00 00 70 BF BC 7B 82 01 00 00
{260} normal block at 0x0000018279F133B0, 16 bytes long.
Data: < :ñy‚ > 00 3A F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000018279F12730, 16 bytes long.
Data: <Ø9ñy‚ > D8 39 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000018279F0B7E0, 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 0x0000018279F12C30, 16 bytes long.
Data: <°9ñy‚ > B0 39 F1 79 82 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000018279F139B0, 992 bytes long.
Data: <0,ñy‚ à·ðy‚ > 30 2C F1 79 82 01 00 00 E0 B7 F0 79 82 01 00 00
{92} normal block at 0x0000018279F0B960, 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 0x0000018279F07700, 16 bytes long.
Data: < Óðy‚ > 00 D3 F0 79 82 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000018279F0D300, 40 bytes long.
Data: < wðy‚ `¹ðy‚ > 00 77 F0 79 82 01 00 00 60 B9 F0 79 82 01 00 00
{69} normal block at 0x0000018279F07570, 16 bytes long.
Data: < ê »ö > 80 EA 0A BB F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018279F07430, 16 bytes long.
Data: <@é »ö > 40 E9 0A BB F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018279F07480, 16 bytes long.
Data: <øW »ö > F8 57 07 BB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018279F07250, 16 bytes long.
Data: <ØW »ö > D8 57 07 BB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018279F071B0, 16 bytes long.
Data: <P »ö > 50 04 07 BB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018279F06A80, 16 bytes long.
Data: <0 »ö > 30 04 07 BB F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000018279F072F0, 16 bytes long.
Data: <à »ö > E0 02 07 BB F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000018279F06F30, 16 bytes long.
Data: < »ö > 10 04 07 BB F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000018279F07020, 16 bytes long.
Data: <p »ö > 70 04 07 BB F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000018279F06990, 16 bytes long.
Data: < À »ö > 18 C0 05 BB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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