Task 38600216
| Name | p38_A27_A25_r0_4-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND1436_7 |
| Workunit | 31553377 |
| Created | 9 Apr 2026, 1:18:30 UTC |
| Sent | 9 Apr 2026, 1:18:35 UTC |
| Report deadline | 14 Apr 2026, 1:18:35 UTC |
| Received | 9 Apr 2026, 6:00:18 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 629300 |
| Run time | 1 min 6 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,156.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 59.72 MB |
| Peak swap size | 11.70 GB |
| Peak disk usage | 1.51 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:58:15 (27508): wrapper (7.9.26016): starting
19:58:15 (27508): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
19:58:16 (27508): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:58:16 (27508): 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\6\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\6\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\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\6\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\6\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\6\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'
19:58:27 (27508): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
19:58:27 (27508): app exit status: 0x16
19:58:27 (27508): 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: 402733 bytes.
Dumping objects ->
{3835426} normal block at 0x000001ADB94B4CE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835415} normal block at 0x000001ADB94B5290, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835404} normal block at 0x000001ADB94B4C70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835393} normal block at 0x000001ADB94B5220, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835382} normal block at 0x000001ADB94B5140, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835351} normal block at 0x000001ADBB29A700, 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) : {3835338} normal block at 0x000001ADB94AE200, 8 bytes long.
Data: < œ¹­ > 00 00 9C B9 AD 01 00 00
{3833961} normal block at 0x000001ADB94AE070, 8 bytes long.
Data: <pÛI¹­ > 70 DB 49 B9 AD 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001ADB94A0970, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001ADB94A2580, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001ADB94B5ED0, 16 bytes long.
Data: < jK¹­ > 88 6A 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ADB94B6470, 16 bytes long.
Data: <`jK¹­ > 60 6A 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001ADB94B1EB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001ADB94B5AC0, 16 bytes long.
Data: <8jK¹­ > 38 6A 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ADB94B63D0, 16 bytes long.
Data: < jK¹­ > 10 6A 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ADB94B6060, 16 bytes long.
Data: <èiK¹­ > E8 69 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ADB94B6330, 16 bytes long.
Data: <ÀiK¹­ > C0 69 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ADB94B5060, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001ADB94B5BB0, 16 bytes long.
Data: <¨+J¹­ > A8 2B 4A B9 AD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ADB94B1610, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001ADB94B6240, 16 bytes long.
Data: < +J¹­ > 80 2B 4A B9 AD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ADB94B61F0, 16 bytes long.
Data: <X+J¹­ > 58 2B 4A B9 AD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ADB94B62E0, 16 bytes long.
Data: <0+J¹­ > 30 2B 4A B9 AD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ADB94B6380, 16 bytes long.
Data: < +J¹­ > 08 2B 4A B9 AD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ADB94B5E30, 16 bytes long.
Data: <à*J¹­ > E0 2A 4A B9 AD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ADB94B5CA0, 16 bytes long.
Data: <¸*J¹­ > B8 2A 4A B9 AD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ADB94B19D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001ADB94B5A70, 16 bytes long.
Data: < *J¹­ > 90 2A 4A B9 AD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ADB94A2A90, 320 bytes long.
Data: <pZK¹­ Ð K¹­ > 70 5A 4B B9 AD 01 00 00 D0 19 4B B9 AD 01 00 00
{276} normal block at 0x000001ADB94B66A0, 16 bytes long.
Data: < iK¹­ > A0 69 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ADB94B58E0, 16 bytes long.
Data: <xiK¹­ > 78 69 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ADB94B1430, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001ADB94B5C00, 16 bytes long.
Data: <PiK¹­ > 50 69 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ADB94B1C70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001ADB94B5FC0, 16 bytes long.
Data: < hK¹­ > 98 68 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ADB94B6010, 16 bytes long.
Data: <phK¹­ > 70 68 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ADB94B5E80, 16 bytes long.
Data: <HhK¹­ > 48 68 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ADB94B6290, 16 bytes long.
Data: < hK¹­ > 20 68 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ADB94B5B60, 16 bytes long.
Data: <øgK¹­ > F8 67 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ADB94B6650, 16 bytes long.
Data: <ÐgK¹­ > D0 67 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ADB94B5D90, 16 bytes long.
Data: <ÀMK¹­ > C0 4D 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ADB94B4DC0, 40 bytes long.
Data: < ]K¹­ §)»­ > 90 5D 4B B9 AD 01 00 00 00 A7 29 BB AD 01 00 00
{262} normal block at 0x000001ADB94B59D0, 16 bytes long.
Data: <°gK¹­ > B0 67 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ADB94B66F0, 16 bytes long.
Data: < gK¹­ > 88 67 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001ADB94B1730, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001ADB94B5A20, 16 bytes long.
Data: <`gK¹­ > 60 67 4B B9 AD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001ADB94B6760, 992 bytes long.
Data: < ZK¹­ 0 K¹­ > 20 5A 4B B9 AD 01 00 00 30 17 4B B9 AD 01 00 00
{94} normal block at 0x000001ADB94B1C10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001ADB94AD9E0, 16 bytes long.
Data: < ÅI¹­ > 10 C5 49 B9 AD 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001ADB949C510, 40 bytes long.
Data: <àÙJ¹­ K¹­ > E0 D9 4A B9 AD 01 00 00 10 1C 4B B9 AD 01 00 00
{71} normal block at 0x000001ADB94AD7B0, 16 bytes long.
Data: < ê¡[ö > 80 EA A1 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001ADB94AD440, 16 bytes long.
Data: <@é¡[ö > 40 E9 A1 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ADB94AD3F0, 16 bytes long.
Data: <øWž[ö > F8 57 9E 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ADB94ADD50, 16 bytes long.
Data: <ØWž[ö > D8 57 9E 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ADB94AE020, 16 bytes long.
Data: <P ž[ö > 50 04 9E 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ADB94AD5D0, 16 bytes long.
Data: <0 ž[ö > 30 04 9E 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ADB94AD760, 16 bytes long.
Data: <à ž[ö > E0 02 9E 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ADB94AD8F0, 16 bytes long.
Data: < ž[ö > 10 04 9E 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ADB94AE1B0, 16 bytes long.
Data: <p ž[ö > 70 04 9E 5B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ADB94AD8A0, 16 bytes long.
Data: < Àœ[ö > 18 C0 9C 5B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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