Task 38600968
| Name | p38_A27_A25_r0_2-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND9849_5 |
| Workunit | 31553375 |
| Created | 9 Apr 2026, 9:01:48 UTC |
| Sent | 9 Apr 2026, 9:01:50 UTC |
| Report deadline | 14 Apr 2026, 9:01:50 UTC |
| Received | 9 Apr 2026, 13:01:27 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 606121 |
| Run time | 2 min 30 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 17,953.15 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 51.64 MB |
| Peak swap size | 39.14 MB |
| Peak disk usage | 1.41 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Az oper�ci�s rendszer nem tudja futtatni a k�vetkez� programot: (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:59:54 (24908): wrapper (7.9.26016): starting
14:59:54 (24908): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
14:59:55 (24908): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:59:55 (24908): 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 'E:\ProgramData\BOINC\slots\15\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 'E:\ProgramData\BOINC\slots\15\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 "E:\ProgramData\BOINC\slots\15\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\15\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 "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\15\Lib\site-packages\openmm\app\pdbfile.py", line 93, in __init__
inputfile = open(file)
^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A27_A25.pdb'
15:00:09 (24908): C:/Windows/system32/cmd.exe exited; CPU time 1.890625
15:00:09 (24908): app exit status: 0x16
15:00:09 (24908): called boinc_finish(195)
0 bytes in 0 Free Blocks.
546 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: 478917 bytes.
Dumping objects ->
{3835253} normal block at 0x000002B4CD535C60, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x000002B4CD5359C0, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000002B4CD536590, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835220} normal block at 0x000002B4CD5362F0, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x000002B4CD5361A0, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835178} normal block at 0x000002B4CEFBDCC0, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835167} normal block at 0x000002B4CD5EE0D0, 145 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) : {3835164} normal block at 0x000002B4CD5063E0, 8 bytes long.
Data: < NÍ´ > 00 00 4E CD B4 02 00 00
{3834552} normal block at 0x000002B4CD5EE4E0, 145 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x000002B4CD506250, 8 bytes long.
Data: < ¶ñδ > 00 B6 F1 CE B4 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002B4CD511390, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B4CD512410, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000002B4CD5130F0, 16 bytes long.
Data: <ø7QÍ´ > F8 37 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B4CD513460, 16 bytes long.
Data: <Ð7QÍ´ > D0 37 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B4CD5078C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000002B4CD513230, 16 bytes long.
Data: <¨7QÍ´ > A8 37 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B4CD512BF0, 16 bytes long.
Data: < 7QÍ´ > 80 37 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B4CD513280, 16 bytes long.
Data: <X7QÍ´ > 58 37 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B4CD512D30, 16 bytes long.
Data: <07QÍ´ > 30 37 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B4CD50BC00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000002B4CD513370, 16 bytes long.
Data: <¨#QÍ´ > A8 23 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B4CD507500, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000002B4CD512C90, 16 bytes long.
Data: < #QÍ´ > 80 23 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B4CD5126A0, 16 bytes long.
Data: <X#QÍ´ > 58 23 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B4CD512880, 16 bytes long.
Data: <0#QÍ´ > 30 23 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B4CD513320, 16 bytes long.
Data: < #QÍ´ > 08 23 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B4CD512E70, 16 bytes long.
Data: <à"QÍ´ > E0 22 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002B4CD513410, 16 bytes long.
Data: <¸"QÍ´ > B8 22 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B4CD507740, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000002B4CD512B50, 16 bytes long.
Data: < "QÍ´ > 90 22 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B4CD512290, 320 bytes long.
Data: <P+QÍ´ @wPÍ´ > 50 2B 51 CD B4 02 00 00 40 77 50 CD B4 02 00 00
{270} normal block at 0x000002B4CD513000, 16 bytes long.
Data: < 7QÍ´ > 10 37 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B4CD512650, 16 bytes long.
Data: <è6QÍ´ > E8 36 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B4CD506CC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000002B4CD512830, 16 bytes long.
Data: <À6QÍ´ > C0 36 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B4CD506F00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000002B4CD5132D0, 16 bytes long.
Data: < 6QÍ´ > 08 36 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B4CD512BA0, 16 bytes long.
Data: <à5QÍ´ > E0 35 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B4CD512B00, 16 bytes long.
Data: <¸5QÍ´ > B8 35 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B4CD512510, 16 bytes long.
Data: < 5QÍ´ > 90 35 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B4CD5131E0, 16 bytes long.
Data: <h5QÍ´ > 68 35 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002B4CD5127E0, 16 bytes long.
Data: <@5QÍ´ > 40 35 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002B4CD512C40, 16 bytes long.
Data: <°ºPÍ´ > B0 BA 50 CD B4 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002B4CD50BAB0, 40 bytes long.
Data: <@,QÍ´ ÀÜûδ > 40 2C 51 CD B4 02 00 00 C0 DC FB CE B4 02 00 00
{256} normal block at 0x000002B4CD512740, 16 bytes long.
Data: < 5QÍ´ > 20 35 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002B4CD512F60, 16 bytes long.
Data: <ø4QÍ´ > F8 34 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002B4CD507440, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000002B4CD512790, 16 bytes long.
Data: <Ð4QÍ´ > D0 34 51 CD B4 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002B4CD5134D0, 992 bytes long.
Data: < 'QÍ´ @tPÍ´ > 90 27 51 CD B4 02 00 00 40 74 50 CD B4 02 00 00
{88} normal block at 0x000002B4CD507A40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000002B4CD5064D0, 16 bytes long.
Data: <@ºPÍ´ > 40 BA 50 CD B4 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000002B4CD50BA40, 40 bytes long.
Data: <ÐdPÍ´ @zPÍ´ > D0 64 50 CD B4 02 00 00 40 7A 50 CD B4 02 00 00
{65} normal block at 0x000002B4CD506020, 16 bytes long.
Data: < ê #ö > 80 EA 14 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B4CD506200, 16 bytes long.
Data: <@é #ö > 40 E9 14 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B4CD505BC0, 16 bytes long.
Data: <øW #ö > F8 57 11 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B4CD5061B0, 16 bytes long.
Data: <ØW #ö > D8 57 11 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B4CD506340, 16 bytes long.
Data: <P #ö > 50 04 11 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B4CD506160, 16 bytes long.
Data: <0 #ö > 30 04 11 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002B4CD506AC0, 16 bytes long.
Data: <à #ö > E0 02 11 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002B4CD505F80, 16 bytes long.
Data: < #ö > 10 04 11 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002B4CD5069D0, 16 bytes long.
Data: <p #ö > 70 04 11 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002B4CD506A70, 16 bytes long.
Data: < À #ö > 18 C0 0F 23 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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