Task 38625925
| Name | cdk8_A06_A26_r0_1-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND3603_2 |
| Workunit | 31575179 |
| Created | 24 Apr 2026, 5:16:07 UTC |
| Sent | 24 Apr 2026, 5:16:16 UTC |
| Report deadline | 29 Apr 2026, 5:16:16 UTC |
| Received | 24 Apr 2026, 15:51:02 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 615825 |
| Run time | 37 sec |
| CPU time | 6 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,109.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 202.99 MB |
| Peak swap size | 6.02 GB |
| Peak disk usage | 2.35 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
23:48:41 (25824): wrapper (7.9.26016): starting
23:48:41 (25824): 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
23:48:42 (25824): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:48:42 (25824): 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 444, in start_worker
self._openmm_worker_makecontext()
File "C:\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 "C:\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'
23:49:06 (25824): C:/Windows/system32/cmd.exe exited; CPU time 6.109375
23:49:06 (25824): app exit status: 0x16
23:49:06 (25824): called boinc_finish(195)
0 bytes in 0 Free Blocks.
576 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: 712985 bytes.
Dumping objects ->
{3835792} normal block at 0x000001C5FEF785D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835781} normal block at 0x000001C5FEF78560, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835770} normal block at 0x000001C5FEF78F00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835759} normal block at 0x000001C5FEF784F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835748} normal block at 0x000001C5FD366EB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835717} normal block at 0x000001C5FEF2BD90, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835706} normal block at 0x000001C5FEE50D50, 160 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) : {3835703} normal block at 0x000001C5FD35AA40, 8 bytes long.
Data: < qýÅ > 00 00 71 FD C5 01 00 00
{3834819} normal block at 0x000001C5FEE50B90, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x000001C5FD35AB80, 8 bytes long.
Data: < cøþÅ > 20 63 F8 FE C5 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C5FD351FA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001C5FD352E60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001C5FD3678B0, 16 bytes long.
Data: < ‡6ýÅ > 88 87 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C5FD3679F0, 16 bytes long.
Data: <`‡6ýÅ > 60 87 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C5FD3611B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001C5FD3677C0, 16 bytes long.
Data: <8‡6ýÅ > 38 87 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C5FD3674F0, 16 bytes long.
Data: < ‡6ýÅ > 10 87 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C5FD368300, 16 bytes long.
Data: <è†6ýÅ > E8 86 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C5FD367CC0, 16 bytes long.
Data: <À†6ýÅ > C0 86 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C5FD366F90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001C5FD367AE0, 16 bytes long.
Data: < 95ýÅ > 08 39 35 FD C5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C5FD3609D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001C5FD367A40, 16 bytes long.
Data: <à85ýÅ > E0 38 35 FD C5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C5FD367770, 16 bytes long.
Data: <¸85ýÅ > B8 38 35 FD C5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C5FD367720, 16 bytes long.
Data: < 85ýÅ > 90 38 35 FD C5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C5FD368170, 16 bytes long.
Data: <h85ýÅ > 68 38 35 FD C5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C5FD3676D0, 16 bytes long.
Data: <@85ýÅ > 40 38 35 FD C5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C5FD367630, 16 bytes long.
Data: < 85ýÅ > 18 38 35 FD C5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C5FD360B50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001C5FD367FE0, 16 bytes long.
Data: <ð75ýÅ > F0 37 35 FD C5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C5FD3537F0, 320 bytes long.
Data: <à 6ýÅ P 6ýÅ > E0 7F 36 FD C5 01 00 00 50 0B 36 FD C5 01 00 00
{279} normal block at 0x000001C5FD367BD0, 16 bytes long.
Data: < †6ýÅ > A0 86 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C5FD367950, 16 bytes long.
Data: <x†6ýÅ > 78 86 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C5FD361030, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001C5FD3675E0, 16 bytes long.
Data: <P†6ýÅ > 50 86 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C5FD360D30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001C5FD367C20, 16 bytes long.
Data: < …6ýÅ > 98 85 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C5FD367E50, 16 bytes long.
Data: <p…6ýÅ > 70 85 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C5FD367B80, 16 bytes long.
Data: <H…6ýÅ > 48 85 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C5FD368260, 16 bytes long.
Data: < …6ýÅ > 20 85 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C5FD367F40, 16 bytes long.
Data: <ø„6ýÅ > F8 84 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C5FD367A90, 16 bytes long.
Data: <Є6ýÅ > D0 84 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C5FD368080, 16 bytes long.
Data: < o6ýÅ > 20 6F 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C5FD366F20, 40 bytes long.
Data: < 6ýÅ ½òþÅ > 80 80 36 FD C5 01 00 00 90 BD F2 FE C5 01 00 00
{265} normal block at 0x000001C5FD367900, 16 bytes long.
Data: <°„6ýÅ > B0 84 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C5FD3682B0, 16 bytes long.
Data: < „6ýÅ > 88 84 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C5FD3615D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001C5FD367EF0, 16 bytes long.
Data: <`„6ýÅ > 60 84 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C5FD368460, 992 bytes long.
Data: <ð~6ýÅ Ð 6ýÅ > F0 7E 36 FD C5 01 00 00 D0 15 36 FD C5 01 00 00
{97} normal block at 0x000001C5FD361390, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001C5FD35A9A0, 16 bytes long.
Data: <@n6ýÅ > 40 6E 36 FD C5 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001C5FD366E40, 40 bytes long.
Data: < ©5ýÅ 6ýÅ > A0 A9 35 FD C5 01 00 00 90 13 36 FD C5 01 00 00
{74} normal block at 0x000001C5FD35AEF0, 16 bytes long.
Data: < êÝ~÷ > 80 EA DD 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001C5FD35B170, 16 bytes long.
Data: <@éÝ~÷ > 40 E9 DD 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001C5FD35AEA0, 16 bytes long.
Data: <øWÚ~÷ > F8 57 DA 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C5FD35A5E0, 16 bytes long.
Data: <ØWÚ~÷ > D8 57 DA 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C5FD35A4A0, 16 bytes long.
Data: <P Ú~÷ > 50 04 DA 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C5FD35AE00, 16 bytes long.
Data: <0 Ú~÷ > 30 04 DA 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C5FD35A8B0, 16 bytes long.
Data: <à Ú~÷ > E0 02 DA 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C5FD35ABD0, 16 bytes long.
Data: < Ú~÷ > 10 04 DA 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C5FD35AE50, 16 bytes long.
Data: <p Ú~÷ > 70 04 DA 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C5FD35A860, 16 bytes long.
Data: < ÀØ~÷ > 18 C0 D8 7E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra