Task 38625102
| Name | cdk8_A06_A26_r0_2-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND4839_2 |
| Workunit | 31575180 |
| Created | 23 Apr 2026, 9:06:56 UTC |
| Sent | 23 Apr 2026, 9:07:04 UTC |
| Report deadline | 28 Apr 2026, 9:07:04 UTC |
| Received | 23 Apr 2026, 9:09:35 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 627499 |
| Run time | 1 min 6 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,187.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 623.38 MB |
| Peak swap size | 4.95 GB |
| Peak disk usage | 1.44 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
Operativsystemet kan ikke k�re (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:08:04 (6072): wrapper (7.9.26016): starting
11:08:04 (6072): 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
11:08:05 (6072): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:08:05 (6072): 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\0\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\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\0\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\0\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'
11:08:23 (6072): C:/Windows/system32/cmd.exe exited; CPU time 1.359375
11:08:23 (6072): app exit status: 0x16
11:08:23 (6072): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 316133 bytes.
Dumping objects ->
{3835224} normal block at 0x000001EC5B86CF90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x000001EC5B86C890, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x000001EC59B84B90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835191} normal block at 0x000001EC59B84E30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001EC59B84EA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835149} normal block at 0x000001EC5B8B8CC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835138} normal block at 0x000001EC5B8CEB10, 102 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) : {3835135} normal block at 0x000001EC59B7D1B0, 8 bytes long.
Data: < Zì > 00 00 02 5A EC 01 00 00
{3834537} normal block at 0x000001EC5B8CEA60, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001EC59B7DCA0, 8 bytes long.
Data: <ÀÕ¶Yì > C0 D5 B6 59 EC 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EC59B71270, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EC59B71980, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001EC59B858B0, 16 bytes long.
Data: < f¸Yì > 98 66 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EC59B85B30, 16 bytes long.
Data: <pf¸Yì > 70 66 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EC59B81720, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001EC59B85D60, 16 bytes long.
Data: <Hf¸Yì > 48 66 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EC59B85AE0, 16 bytes long.
Data: < f¸Yì > 20 66 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EC59B859A0, 16 bytes long.
Data: <øe¸Yì > F8 65 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EC59B85540, 16 bytes long.
Data: <Ðe¸Yì > D0 65 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EC59B84D50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001EC59B85810, 16 bytes long.
Data: <x³¶Yì > 78 B3 B6 59 EC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EC59B80E20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001EC59B85630, 16 bytes long.
Data: <P³¶Yì > 50 B3 B6 59 EC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EC59B855E0, 16 bytes long.
Data: <(³¶Yì > 28 B3 B6 59 EC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EC59B854F0, 16 bytes long.
Data: < ³¶Yì > 00 B3 B6 59 EC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EC59B860D0, 16 bytes long.
Data: <ز¶Yì > D8 B2 B6 59 EC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EC59B85950, 16 bytes long.
Data: <°²¶Yì > B0 B2 B6 59 EC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EC59B85C20, 16 bytes long.
Data: < ²¶Yì > 88 B2 B6 59 EC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EC59B816C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001EC59B86300, 16 bytes long.
Data: <`²¶Yì > 60 B2 B6 59 EC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EC59B6B260, 320 bytes long.
Data: < c¸Yì À ¸Yì > 00 63 B8 59 EC 01 00 00 C0 16 B8 59 EC 01 00 00
{275} normal block at 0x000001EC59B854A0, 16 bytes long.
Data: <°e¸Yì > B0 65 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EC59B85BD0, 16 bytes long.
Data: < e¸Yì > 88 65 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EC59B80880, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001EC59B85770, 16 bytes long.
Data: <`e¸Yì > 60 65 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EC59B81000, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001EC59B85720, 16 bytes long.
Data: <¨d¸Yì > A8 64 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EC59B85FE0, 16 bytes long.
Data: < d¸Yì > 80 64 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EC59B85A90, 16 bytes long.
Data: <Xd¸Yì > 58 64 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EC59B857C0, 16 bytes long.
Data: <0d¸Yì > 30 64 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EC59B85F90, 16 bytes long.
Data: < d¸Yì > 08 64 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EC59B86120, 16 bytes long.
Data: <àc¸Yì > E0 63 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EC59B85B80, 16 bytes long.
Data: <ðH¸Yì > F0 48 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EC59B848F0, 40 bytes long.
Data: < [¸Yì ÀŒ‹[ì > 80 5B B8 59 EC 01 00 00 C0 8C 8B 5B EC 01 00 00
{261} normal block at 0x000001EC59B85EF0, 16 bytes long.
Data: <Àc¸Yì > C0 63 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EC59B859F0, 16 bytes long.
Data: < c¸Yì > 98 63 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EC59B80D00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001EC59B85F40, 16 bytes long.
Data: <pc¸Yì > 70 63 B8 59 EC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EC59B86370, 992 bytes long.
Data: <@_¸Yì ¸Yì > 40 5F B8 59 EC 01 00 00 00 0D B8 59 EC 01 00 00
{93} normal block at 0x000001EC59B808E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001EC59B7CFD0, 16 bytes long.
Data: <0ŶYì > 30 C5 B6 59 EC 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001EC59B6C530, 40 bytes long.
Data: <ÐÏ·Yì à ¸Yì > D0 CF B7 59 EC 01 00 00 E0 08 B8 59 EC 01 00 00
{70} normal block at 0x000001EC59B7DED0, 16 bytes long.
Data: < êI,ö > 80 EA 49 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EC59B7D7A0, 16 bytes long.
Data: <@éI,ö > 40 E9 49 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EC59B7D2F0, 16 bytes long.
Data: <øWF,ö > F8 57 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EC59B7D2A0, 16 bytes long.
Data: <ØWF,ö > D8 57 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EC59B7D390, 16 bytes long.
Data: <P F,ö > 50 04 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EC59B7D520, 16 bytes long.
Data: <0 F,ö > 30 04 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EC59B7D340, 16 bytes long.
Data: <à F,ö > E0 02 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EC59B7CF80, 16 bytes long.
Data: < F,ö > 10 04 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EC59B7D480, 16 bytes long.
Data: <p F,ö > 70 04 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EC59B7D250, 16 bytes long.
Data: < ÀD,ö > 18 C0 44 2C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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