Task 38625057
| Name | cdk8_A06_A26_r0_2-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND4839_1 |
| Workunit | 31575180 |
| Created | 23 Apr 2026, 9:01:26 UTC |
| Sent | 23 Apr 2026, 9:01:35 UTC |
| Report deadline | 28 Apr 2026, 9:01:35 UTC |
| Received | 23 Apr 2026, 9:06:52 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 429162 |
| Run time | 2 min 2 sec |
| CPU time | 21 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 13,282.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 363.47 MB |
| Peak swap size | 3.19 GB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:04:22 (12080): wrapper (7.9.26016): starting
11:04:22 (12080): 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
11:04:24 (12080): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:04:24 (12080): 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 'D:\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 'D:\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 "D:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\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 "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "D:\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 "D:\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'
11:04:57 (12080): C:/Windows/system32/cmd.exe exited; CPU time 21.140625
11:04:57 (12080): app exit status: 0x16
11:04:57 (12080): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 645824 bytes.
Dumping objects ->
{3835280} normal block at 0x00000260F6DB16B0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x00000260F6DB0B50, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x00000260F6DB1090, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835247} normal block at 0x00000260F6DB1020, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x00000260F6DB1560, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835205} normal block at 0x00000260F6ED4E80, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x00000260F6EED4E0, 85 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) : {3835191} normal block at 0x00000260F5438560, 8 bytes long.
Data: < =õ` > 00 00 3D F5 60 02 00 00
{3834566} normal block at 0x00000260F6EED580, 85 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 0x00000260F5437BB0, 8 bytes long.
Data: <À²Bõ` > C0 B2 42 F5 60 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000260F5442AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000260F5426720, 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 0x00000260F5443B10, 16 bytes long.
Data: < QDõ` > 08 51 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000260F5443B60, 16 bytes long.
Data: <àPDõ` > E0 50 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000260F543D0C0, 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 0x00000260F54442E0, 16 bytes long.
Data: <¸PDõ` > B8 50 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000260F54441F0, 16 bytes long.
Data: < PDõ` > 90 50 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000260F5443A20, 16 bytes long.
Data: <hPDõ` > 68 50 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000260F5444830, 16 bytes long.
Data: <@PDõ` > 40 50 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000260F543D7D0, 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 0x00000260F5444470, 16 bytes long.
Data: <h¼Bõ` > 68 BC 42 F5 60 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000260F543CD60, 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 0x00000260F5444100, 16 bytes long.
Data: <@¼Bõ` > 40 BC 42 F5 60 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000260F5444420, 16 bytes long.
Data: < ¼Bõ` > 18 BC 42 F5 60 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000260F54446A0, 16 bytes long.
Data: <ð»Bõ` > F0 BB 42 F5 60 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000260F5444880, 16 bytes long.
Data: <È»Bõ` > C8 BB 42 F5 60 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000260F5443C00, 16 bytes long.
Data: < »Bõ` > A0 BB 42 F5 60 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000260F54448D0, 16 bytes long.
Data: <x»Bõ` > 78 BB 42 F5 60 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000260F543CCA0, 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 0x00000260F5444010, 16 bytes long.
Data: <P»Bõ` > 50 BB 42 F5 60 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000260F542BB50, 320 bytes long.
Data: < @Dõ`  ÌCõ` > 10 40 44 F5 60 02 00 00 A0 CC 43 F5 60 02 00 00
{275} normal block at 0x00000260F5443FC0, 16 bytes long.
Data: < PDõ` > 20 50 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000260F5444290, 16 bytes long.
Data: <øODõ` > F8 4F 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000260F543CC40, 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 0x00000260F5443AC0, 16 bytes long.
Data: <ÐODõ` > D0 4F 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000260F543C6A0, 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 0x00000260F5443A70, 16 bytes long.
Data: < ODõ` > 18 4F 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000260F5443ED0, 16 bytes long.
Data: <ðNDõ` > F0 4E 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000260F5443F70, 16 bytes long.
Data: <ÈNDõ` > C8 4E 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000260F5443E30, 16 bytes long.
Data: < NDõ` > A0 4E 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000260F5444240, 16 bytes long.
Data: <xNDõ` > 78 4E 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000260F5443BB0, 16 bytes long.
Data: <PNDõ` > 50 4E 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000260F54440B0, 16 bytes long.
Data: <`×Cõ` > 60 D7 43 F5 60 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000260F543D760, 40 bytes long.
Data: <°@Dõ` Níö` > B0 40 44 F5 60 02 00 00 80 4E ED F6 60 02 00 00
{261} normal block at 0x00000260F5444970, 16 bytes long.
Data: <0NDõ` > 30 4E 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000260F54447E0, 16 bytes long.
Data: < NDõ` > 08 4E 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000260F543C640, 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 0x00000260F5443D90, 16 bytes long.
Data: <àMDõ` > E0 4D 44 F5 60 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000260F5444DE0, 992 bytes long.
Data: < =Dõ` @ÆCõ` > 90 3D 44 F5 60 02 00 00 40 C6 43 F5 60 02 00 00
{93} normal block at 0x00000260F543CDC0, 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 0x00000260F5438510, 16 bytes long.
Data: <ðÖCõ` > F0 D6 43 F5 60 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000260F543D6F0, 40 bytes long.
Data: < …Cõ` ÀÍCõ` > 10 85 43 F5 60 02 00 00 C0 CD 43 F5 60 02 00 00
{70} normal block at 0x00000260F5437AC0, 16 bytes long.
Data: < ê¾Õ÷ > 80 EA BE D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000260F5437F70, 16 bytes long.
Data: <@é¾Õ÷ > 40 E9 BE D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000260F5437A20, 16 bytes long.
Data: <øW»Õ÷ > F8 57 BB D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000260F54379D0, 16 bytes long.
Data: <ØW»Õ÷ > D8 57 BB D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000260F5437980, 16 bytes long.
Data: <P »Õ÷ > 50 04 BB D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000260F5438380, 16 bytes long.
Data: <0 »Õ÷ > 30 04 BB D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000260F5438010, 16 bytes long.
Data: <à »Õ÷ > E0 02 BB D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000260F5438240, 16 bytes long.
Data: < »Õ÷ > 10 04 BB D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000260F5437930, 16 bytes long.
Data: <p »Õ÷ > 70 04 BB D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000260F5438100, 16 bytes long.
Data: < À¹Õ÷ > 18 C0 B9 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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