Task 38625702
| Name | cdk8_A06_A26_r0_2-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND4839_7 |
| Workunit | 31575180 |
| Created | 23 Apr 2026, 22:53:07 UTC |
| Sent | 23 Apr 2026, 22:53:13 UTC |
| Report deadline | 28 Apr 2026, 22:53:13 UTC |
| Received | 24 Apr 2026, 3:45:42 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 604231 |
| Run time | 1 min 10 sec |
| CPU time | 3 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 82,585.64 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 39.75 MB |
| Peak swap size | 27.41 MB |
| Peak disk usage | 2.79 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run <sporadic_ac>.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
22:43:54 (28608): wrapper (7.9.26016): starting
22:43:54 (28608): 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
22:43:55 (28608): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:43:55 (28608): 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 'M:\BOINC\slots\28\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 'M:\BOINC\slots\28\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 "M:\BOINC\slots\28\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "M:\BOINC\slots\28\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "M:\BOINC\slots\28\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 "M:\BOINC\slots\28\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "M:\BOINC\slots\28\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "M:\BOINC\slots\28\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
self.simulation.loadState(self.basename + "_0.xml")
File "M:\BOINC\slots\28\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'
22:44:46 (28608): C:/Windows/system32/cmd.exe exited; CPU time 10.281250
22:44:46 (28608): app exit status: 0x16
22:44:46 (28608): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 874361 bytes.
Dumping objects ->
{3835625} normal block at 0x0000025A9AFC5130, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835614} normal block at 0x0000025A9CE80DD0, 32 bytes long.
Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835603} normal block at 0x0000025A9CE80110, 32 bytes long.
Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835592} normal block at 0x0000025A9CE7FED0, 32 bytes long.
Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835581} normal block at 0x0000025A9CE7F6F0, 32 bytes long.
Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C
{3835550} normal block at 0x0000025A9AFC5050, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835539} normal block at 0x0000025A9B02A9C0, 140 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) : {3835536} normal block at 0x0000025A9AFBE1B0, 8 bytes long.
Data: < [›Z > 00 00 5B 9B 5A 02 00 00
{3834736} normal block at 0x0000025A9B02A4E0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000025A9AFBDD50, 8 bytes long.
Data: <PêÇœZ > 50 EA C7 9C 5A 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000025A9AFB0A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000025A9AFB2420, 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 0x0000025A9AFC64A0, 16 bytes long.
Data: <XküšZ > 58 6B FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025A9AFC6720, 16 bytes long.
Data: <0küšZ > 30 6B FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025A9AFBFA20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000025A9AFC59B0, 16 bytes long.
Data: < küšZ > 08 6B FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025A9AFC58C0, 16 bytes long.
Data: <àjüšZ > E0 6A FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025A9AFC6040, 16 bytes long.
Data: <¸jüšZ > B8 6A FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025A9AFC5E10, 16 bytes long.
Data: < jüšZ > 90 6A FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025A9AFC5360, 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 0x0000025A9AFC6270, 16 bytes long.
Data: < ûšZ > 18 00 FB 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025A9AFC0200, 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 0x0000025A9AFC5DC0, 16 bytes long.
Data: <ðÿúšZ > F0 FF FA 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025A9AFC5D70, 16 bytes long.
Data: <ÈÿúšZ > C8 FF FA 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025A9AFC5AF0, 16 bytes long.
Data: < ÿúšZ > A0 FF FA 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025A9AFC5960, 16 bytes long.
Data: <xÿúšZ > 78 FF FA 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025A9AFC6220, 16 bytes long.
Data: <PÿúšZ > 50 FF FA 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025A9AFC6540, 16 bytes long.
Data: <(ÿúšZ > 28 FF FA 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025A9AFBFC60, 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 0x0000025A9AFC62C0, 16 bytes long.
Data: < ÿúšZ > 00 FF FA 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025A9AFAFF00, 320 bytes long.
Data: <ÀbüšZ `üûšZ > C0 62 FC 9A 5A 02 00 00 60 FC FB 9A 5A 02 00 00
{278} normal block at 0x0000025A9AFC5910, 16 bytes long.
Data: <pjüšZ > 70 6A FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025A9AFC5870, 16 bytes long.
Data: <HjüšZ > 48 6A FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025A9AFBF780, 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 0x0000025A9AFC5D20, 16 bytes long.
Data: < jüšZ > 20 6A FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025A9AFC0020, 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 0x0000025A9AFC5CD0, 16 bytes long.
Data: <hiüšZ > 68 69 FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025A9AFC5C30, 16 bytes long.
Data: <@iüšZ > 40 69 FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025A9AFC66D0, 16 bytes long.
Data: < iüšZ > 18 69 FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025A9AFC6310, 16 bytes long.
Data: <ðhüšZ > F0 68 FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025A9AFC63B0, 16 bytes long.
Data: <ÈhüšZ > C8 68 FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025A9AFC5E60, 16 bytes long.
Data: < hüšZ > A0 68 FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025A9AFC60E0, 16 bytes long.
Data: <@MüšZ > 40 4D FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025A9AFC4D40, 40 bytes long.
Data: <à`üšZ PPüšZ > E0 60 FC 9A 5A 02 00 00 50 50 FC 9A 5A 02 00 00
{264} normal block at 0x0000025A9AFC6680, 16 bytes long.
Data: < hüšZ > 80 68 FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025A9AFC6360, 16 bytes long.
Data: <XhüšZ > 58 68 FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025A9AFBFAE0, 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 0x0000025A9AFC6590, 16 bytes long.
Data: <0hüšZ > 30 68 FC 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025A9AFC6830, 992 bytes long.
Data: < eüšZ àúûšZ > 90 65 FC 9A 5A 02 00 00 E0 FA FB 9A 5A 02 00 00
{96} normal block at 0x0000025A9AFBF900, 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 0x0000025A9AFBDD00, 16 bytes long.
Data: < åúšZ > 20 E5 FA 9A 5A 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000025A9AFAE520, 40 bytes long.
Data: < ÝûšZ ùûšZ > 00 DD FB 9A 5A 02 00 00 00 F9 FB 9A 5A 02 00 00
{73} normal block at 0x0000025A9AFBDCB0, 16 bytes long.
Data: < ê ‘ö > 80 EA 03 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000025A9AFBD800, 16 bytes long.
Data: <@é ‘ö > 40 E9 03 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000025A9AFBE200, 16 bytes long.
Data: <øW ‘ö > F8 57 00 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025A9AFBD8F0, 16 bytes long.
Data: <ØW ‘ö > D8 57 00 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025A9AFBD5D0, 16 bytes long.
Data: <P ‘ö > 50 04 00 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025A9AFBDB20, 16 bytes long.
Data: <0 ‘ö > 30 04 00 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025A9AFBDFD0, 16 bytes long.
Data: <à ‘ö > E0 02 00 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025A9AFBD580, 16 bytes long.
Data: < ‘ö > 10 04 00 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025A9AFBE020, 16 bytes long.
Data: <p ‘ö > 70 04 00 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025A9AFBD710, 16 bytes long.
Data: < Àþ ö > 18 C0 FE 90 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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