Task 38600161
| Name | p38_A27_A32_r0_3-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND0136_5 |
| Workunit | 31553396 |
| Created | 9 Apr 2026, 0:50:47 UTC |
| Sent | 9 Apr 2026, 0:50:57 UTC |
| Report deadline | 14 Apr 2026, 0:50:57 UTC |
| Received | 9 Apr 2026, 0:56:04 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 647298 |
| Run time | 42 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 46,388.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 34.33 MB |
| Peak swap size | 23.61 MB |
| Peak disk usage | 1.51 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:54:13 (83676): wrapper (7.9.26016): starting
20:54:13 (83676): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A32_input.yaml
run.bat
run.sh
20:54:14 (83676): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:54:14 (83676): 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 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\app\pdbfile.py", line 93, in __init__
inputfile = open(file)
^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A27_A32.pdb'
20:54:20 (83676): C:/Windows/system32/cmd.exe exited; CPU time 0.015625
20:54:20 (83676): app exit status: 0x16
20:54:20 (83676): 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: 495937 bytes.
Dumping objects ->
{3835616} normal block at 0x0000022FEB761100, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835605} normal block at 0x0000022FEB760DF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835594} normal block at 0x0000022FEB761480, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835583} normal block at 0x0000022FEB761560, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835572} normal block at 0x0000022FEB7611E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835541} normal block at 0x0000022FEB855EB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835530} normal block at 0x0000022FEB8A8EE0, 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) : {3835527} normal block at 0x0000022FE9B7D9D0, 8 bytes long.
Data: < ê/ > 00 00 00 EA 2F 02 00 00
{3834726} normal block at 0x0000022FEB8A9040, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833971} normal block at 0x0000022FE9B7D660, 8 bytes long.
Data: < eŠë/ > 90 65 8A EB 2F 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000022FE9B71F50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000022FE9B6ECF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000022FE9B85BD0, 16 bytes long.
Data: <øj¸é/ > F8 6A B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000022FE9B866C0, 16 bytes long.
Data: <Ðj¸é/ > D0 6A B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000022FE9B81AB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000022FE9B863F0, 16 bytes long.
Data: <¨j¸é/ > A8 6A B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022FE9B86260, 16 bytes long.
Data: < j¸é/ > 80 6A B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022FE9B85A40, 16 bytes long.
Data: <Xj¸é/ > 58 6A B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022FE9B85D60, 16 bytes long.
Data: <0j¸é/ > 30 6A B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022FE9B7FA40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000022FE9B86120, 16 bytes long.
Data: <( ·é/ > 28 02 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022FE9B81090, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000022FE9B862B0, 16 bytes long.
Data: < ·é/ > 00 02 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022FE9B85FE0, 16 bytes long.
Data: <Ø ·é/ > D8 01 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022FE9B86210, 16 bytes long.
Data: <° ·é/ > B0 01 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022FE9B861C0, 16 bytes long.
Data: < ·é/ > 88 01 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022FE9B85B80, 16 bytes long.
Data: <` ·é/ > 60 01 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022FE9B86170, 16 bytes long.
Data: <8 ·é/ > 38 01 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022FE9B812D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000022FE9B858B0, 16 bytes long.
Data: < ·é/ > 10 01 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022FE9B70110, 320 bytes long.
Data: <°X¸é/ Ð ¸é/ > B0 58 B8 E9 2F 02 00 00 D0 12 B8 E9 2F 02 00 00
{281} normal block at 0x0000022FE9B85D10, 16 bytes long.
Data: < j¸é/ > 10 6A B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022FE9B860D0, 16 bytes long.
Data: <èi¸é/ > E8 69 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022FE9B80EB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000022FE9B85C70, 16 bytes long.
Data: <Ài¸é/ > C0 69 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022FE9B81150, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000022FE9B863A0, 16 bytes long.
Data: < i¸é/ > 08 69 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022FE9B85EA0, 16 bytes long.
Data: <àh¸é/ > E0 68 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022FE9B86080, 16 bytes long.
Data: <¸h¸é/ > B8 68 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022FE9B859F0, 16 bytes long.
Data: < h¸é/ > 90 68 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022FE9B86030, 16 bytes long.
Data: <hh¸é/ > 68 68 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022FE9B86530, 16 bytes long.
Data: <@h¸é/ > 40 68 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022FE9B85F90, 16 bytes long.
Data: < ø·é/ > 10 F8 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022FE9B7F810, 40 bytes long.
Data: < _¸é/ °^…ë/ > 90 5F B8 E9 2F 02 00 00 B0 5E 85 EB 2F 02 00 00
{267} normal block at 0x0000022FE9B859A0, 16 bytes long.
Data: < h¸é/ > 20 68 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022FE9B85810, 16 bytes long.
Data: <øg¸é/ > F8 67 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022FE9B80F10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000022FE9B86760, 16 bytes long.
Data: <Ðg¸é/ > D0 67 B8 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022FE9B867D0, 992 bytes long.
Data: <`g¸é/ ¸é/ > 60 67 B8 E9 2F 02 00 00 10 0F B8 E9 2F 02 00 00
{99} normal block at 0x0000022FE9B81690, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000022FE9B7D980, 16 bytes long.
Data: < ô·é/ > 90 F4 B7 E9 2F 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000022FE9B7F490, 40 bytes long.
Data: < Ù·é/ ¸é/ > 80 D9 B7 E9 2F 02 00 00 90 16 B8 E9 2F 02 00 00
{76} normal block at 0x0000022FE9B7DAC0, 16 bytes long.
Data: < ê„óö > 80 EA 84 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000022FE9B7D7A0, 16 bytes long.
Data: <@é„óö > 40 E9 84 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000022FE9B7D1B0, 16 bytes long.
Data: <øW óö > F8 57 81 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000022FE9B7D160, 16 bytes long.
Data: <ØW óö > D8 57 81 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022FE9B7DA70, 16 bytes long.
Data: <P óö > 50 04 81 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022FE9B7DCF0, 16 bytes long.
Data: <0 óö > 30 04 81 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022FE9B7DA20, 16 bytes long.
Data: <à óö > E0 02 81 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022FE9B7D0C0, 16 bytes long.
Data: < óö > 10 04 81 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022FE9B7DCA0, 16 bytes long.
Data: <p óö > 70 04 81 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022FE9B7D700, 16 bytes long.
Data: < À óö > 18 C0 7F F3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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