Task 38598263
| Name | p38_A27_A32_r0_1-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND9553_2 |
| Workunit | 31553394 |
| Created | 8 Apr 2026, 9:13:43 UTC |
| Sent | 8 Apr 2026, 9:19:54 UTC |
| Report deadline | 13 Apr 2026, 9:19:54 UTC |
| Received | 9 Apr 2026, 3:33:26 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643393 |
| Run time | 1 min 17 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,753.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 45.17 MB |
| Peak swap size | 34.78 MB |
| Peak disk usage | 1.51 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:31:56 (17136): wrapper (7.9.26016): starting
05:31:56 (17136): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A32_input.yaml
run.bat
run.sh
05:31:57 (17136): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:31:57 (17136): 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 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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'
05:32:07 (17136): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
05:32:07 (17136): app exit status: 0x16
05:32:07 (17136): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 242261 bytes.
Dumping objects ->
{3835224} normal block at 0x0000019D299BB7C0, 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 0x0000019D299BBB40, 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 0x0000019D299BB2F0, 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 0x0000019D299BAE90, 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 0x0000019D299BBBB0, 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 0x0000019D2995B920, 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 0x0000019D2991A690, 141 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 0x0000019D27ED6B60, 8 bytes long.
Data: < ë' > 00 00 EB 27 9D 01 00 00
{3834537} normal block at 0x0000019D2991A420, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x0000019D27ED6430, 8 bytes long.
Data: <Pëû' > 50 EB FB 27 9D 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000019D27EE0340, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019D27EC6FD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000019D27EE1D30, 16 bytes long.
Data: <x)î' > 78 29 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019D27EE1600, 16 bytes long.
Data: <P)î' > 50 29 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019D27ED9CB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000019D27EE1740, 16 bytes long.
Data: <()î' > 28 29 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019D27EE1560, 16 bytes long.
Data: < )î' > 00 29 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019D27EE1C40, 16 bytes long.
Data: <Ø(î' > D8 28 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019D27EE1510, 16 bytes long.
Data: <°(î' > B0 28 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019D27EDB0D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000019D27EE1BF0, 16 bytes long.
Data: <(Pì' > 28 50 EC 27 9D 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019D27ED95F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000019D27EE1330, 16 bytes long.
Data: < Pì' > 00 50 EC 27 9D 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019D27EE18D0, 16 bytes long.
Data: <ØOì' > D8 4F EC 27 9D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019D27EE12E0, 16 bytes long.
Data: <°Oì' > B0 4F EC 27 9D 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019D27EE1290, 16 bytes long.
Data: < Oì' > 88 4F EC 27 9D 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019D27EE1BA0, 16 bytes long.
Data: <`Oì' > 60 4F EC 27 9D 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019D27EE1B50, 16 bytes long.
Data: <8Oì' > 38 4F EC 27 9D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019D27ED9BF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000019D27EE20A0, 16 bytes long.
Data: < Oì' > 10 4F EC 27 9D 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019D27EC4F10, 320 bytes long.
Data: <  î' ð›í' > A0 20 EE 27 9D 01 00 00 F0 9B ED 27 9D 01 00 00
{273} normal block at 0x0000019D27EE1FB0, 16 bytes long.
Data: < (î' > 90 28 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019D27EE21E0, 16 bytes long.
Data: <h(î' > 68 28 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019D27ED9A70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000019D27EE1420, 16 bytes long.
Data: <@(î' > 40 28 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019D27ED9950, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000019D27EE1470, 16 bytes long.
Data: < 'î' > 88 27 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019D27EE13D0, 16 bytes long.
Data: <`'î' > 60 27 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019D27EE15B0, 16 bytes long.
Data: <8'î' > 38 27 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019D27EE1CE0, 16 bytes long.
Data: < 'î' > 10 27 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019D27EE19C0, 16 bytes long.
Data: <è&î' > E8 26 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019D27EE1B00, 16 bytes long.
Data: <À&î' > C0 26 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019D27EE2050, 16 bytes long.
Data: <À´í' > C0 B4 ED 27 9D 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019D27EDB4C0, 40 bytes long.
Data: <P î' ¹•) > 50 20 EE 27 9D 01 00 00 20 B9 95 29 9D 01 00 00
{259} normal block at 0x0000019D27EE2190, 16 bytes long.
Data: < &î' > A0 26 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019D27EE1E20, 16 bytes long.
Data: <x&î' > 78 26 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019D27ED98F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000019D27EE14C0, 16 bytes long.
Data: <P&î' > 50 26 EE 27 9D 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000019D27EE2650, 992 bytes long.
Data: <À î' ð í' > C0 14 EE 27 9D 01 00 00 F0 98 ED 27 9D 01 00 00
{91} normal block at 0x0000019D27ED9470, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000019D27ED7100, 16 bytes long.
Data: <°±í' > B0 B1 ED 27 9D 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000019D27EDB1B0, 40 bytes long.
Data: < qí' p”í' > 00 71 ED 27 9D 01 00 00 70 94 ED 27 9D 01 00 00
{68} normal block at 0x0000019D27ED71F0, 16 bytes long.
Data: < ê²Wö > 80 EA B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019D27ED6D90, 16 bytes long.
Data: <@é²Wö > 40 E9 B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019D27ED6750, 16 bytes long.
Data: <øW¯Wö > F8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019D27ED6BB0, 16 bytes long.
Data: <ØW¯Wö > D8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019D27ED6520, 16 bytes long.
Data: <P ¯Wö > 50 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019D27ED6930, 16 bytes long.
Data: <0 ¯Wö > 30 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019D27ED6A70, 16 bytes long.
Data: <à ¯Wö > E0 02 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019D27ED6C50, 16 bytes long.
Data: < ¯Wö > 10 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019D27ED64D0, 16 bytes long.
Data: <p ¯Wö > 70 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019D27ED70B0, 16 bytes long.
Data: < À­Wö > 18 C0 AD 57 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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