Task 38627630
| Name | cdk8_A25_A18_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND1866_3 |
| Workunit | 31577385 |
| Created | 24 Apr 2026, 12:37:00 UTC |
| Sent | 24 Apr 2026, 12:38:01 UTC |
| Report deadline | 29 Apr 2026, 12:38:01 UTC |
| Received | 24 Apr 2026, 23:09:14 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 619891 |
| Run time | 1 min 47 sec |
| CPU time | 24 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 16,318.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 383.93 MB |
| Peak swap size | 10.72 GB |
| Peak disk usage | 1.42 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>
17:05:56 (38672): wrapper (7.9.26016): starting
17:05:56 (38672): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A18.inpcrd
QB_A25_A18_input.yaml
QB_A25_A18.pdb
QB_A25_A18.prmtop
QB_A25_A18_sys.xml
run.bat
run.sh
17:05:57 (38672): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:05:57 (38672): 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\25\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\25\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\25\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\25\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\25\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\25\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\25\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_A25_A18_0.xml'
17:07:25 (38672): C:/Windows/system32/cmd.exe exited; CPU time 24.203125
17:07:25 (38672): app exit status: 0x16
17:07:25 (38672): 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: 1831681 bytes.
Dumping objects ->
{3835292} normal block at 0x0000022CBA6607F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835281} normal block at 0x0000022CBA660780, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835270} normal block at 0x0000022CBA6605C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835259} normal block at 0x0000022CB7F75660, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835248} normal block at 0x0000022CB7F75430, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835217} normal block at 0x0000022CBA530AD0, 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) : {3835204} normal block at 0x0000022CB7F6A650, 8 bytes long.
Data: < &¸, > 00 00 26 B8 2C 02 00 00
{3833997} normal block at 0x0000022CB7F6A5B0, 8 bytes long.
Data: < ñeº, > 00 F1 65 BA 2C 02 00 00
..\zip\boinc_zip.cpp(122) : {330} normal block at 0x0000022CB7F62640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{315} normal block at 0x0000022CB7F6BCB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{314} normal block at 0x0000022CB7F78B50, 16 bytes long.
Data: <x•÷·, > 78 95 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{313} normal block at 0x0000022CB7F780B0, 16 bytes long.
Data: <P•÷·, > 50 95 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x0000022CB7F76330, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{311} normal block at 0x0000022CB7F78060, 16 bytes long.
Data: <(•÷·, > 28 95 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x0000022CB7F782E0, 16 bytes long.
Data: < •÷·, > 00 95 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x0000022CB7F78B00, 16 bytes long.
Data: <Ø”÷·, > D8 94 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000022CB7F78AB0, 16 bytes long.
Data: <°”÷·, > B0 94 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000022CB7F75A50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{306} normal block at 0x0000022CB7F78560, 16 bytes long.
Data: <8 ö·, > 38 11 F6 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000022CB7F75D30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{304} normal block at 0x0000022CB7F78920, 16 bytes long.
Data: < ö·, > 10 11 F6 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000022CB7F78240, 16 bytes long.
Data: <è ö·, > E8 10 F6 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000022CB7F781F0, 16 bytes long.
Data: <À ö·, > C0 10 F6 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000022CB7F78C90, 16 bytes long.
Data: < ö·, > 98 10 F6 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000022CB7F789C0, 16 bytes long.
Data: <p ö·, > 70 10 F6 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000022CB7F78D80, 16 bytes long.
Data: <H ö·, > 48 10 F6 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022CB7F76630, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{296} normal block at 0x0000022CB7F78D30, 16 bytes long.
Data: < ö·, > 20 10 F6 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022CB7F61020, 320 bytes long.
Data: <0 ÷·, 0f÷·, > 30 8D F7 B7 2C 02 00 00 30 66 F7 B7 2C 02 00 00
{294} normal block at 0x0000022CB7F78290, 16 bytes long.
Data: < ”÷·, > 90 94 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022CB7F781A0, 16 bytes long.
Data: <h”÷·, > 68 94 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022CB7F75DF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{291} normal block at 0x0000022CB7F786A0, 16 bytes long.
Data: <@”÷·, > 40 94 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022CB7F76690, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{289} normal block at 0x0000022CB7F78150, 16 bytes long.
Data: < “÷·, > 88 93 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022CB7F78BF0, 16 bytes long.
Data: <`“÷·, > 60 93 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022CB7F78FB0, 16 bytes long.
Data: <8“÷·, > 38 93 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022CB7F788D0, 16 bytes long.
Data: < “÷·, > 10 93 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022CB7F78F60, 16 bytes long.
Data: <è’÷·, > E8 92 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022CB7F78F10, 16 bytes long.
Data: <À’÷·, > C0 92 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022CB7F78830, 16 bytes long.
Data: <àY÷·, > E0 59 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022CB7F759E0, 40 bytes long.
Data: <0 ÷·, Ð Sº, > 30 88 F7 B7 2C 02 00 00 D0 0A 53 BA 2C 02 00 00
{280} normal block at 0x0000022CB7F78510, 16 bytes long.
Data: < ’÷·, > A0 92 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022CB7F78470, 16 bytes long.
Data: <x’÷·, > 78 92 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022CB7F75F10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{277} normal block at 0x0000022CB7F78970, 16 bytes long.
Data: <P’÷·, > 50 92 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022CB7F79250, 992 bytes long.
Data: <p‰÷·, _÷·, > 70 89 F7 B7 2C 02 00 00 10 5F F7 B7 2C 02 00 00
{112} normal block at 0x0000022CB7F765D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{111} normal block at 0x0000022CB7F6A470, 16 bytes long.
Data: < T÷·, > A0 54 F7 B7 2C 02 00 00 00 00 00 00 00 00 00 00
{110} normal block at 0x0000022CB7F754A0, 40 bytes long.
Data: <p¤ö·, Ðe÷·, > 70 A4 F6 B7 2C 02 00 00 D0 65 F7 B7 2C 02 00 00
{89} normal block at 0x0000022CB7F6A6F0, 16 bytes long.
Data: < ꃮö > 80 EA 83 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000022CB7F6A1A0, 16 bytes long.
Data: <@郮ö > 40 E9 83 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000022CB7F6A0B0, 16 bytes long.
Data: <øW ®ö > F8 57 80 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000022CB7F69F20, 16 bytes long.
Data: <ØW ®ö > D8 57 80 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000022CB7F69A70, 16 bytes long.
Data: <P ®ö > 50 04 80 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000022CB7F6A150, 16 bytes long.
Data: <0 ®ö > 30 04 80 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000022CB7F6A600, 16 bytes long.
Data: <à ®ö > E0 02 80 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000022CB7F69D90, 16 bytes long.
Data: < ®ö > 10 04 80 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000022CB7F69A20, 16 bytes long.
Data: <p ®ö > 70 04 80 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000022CB7F69E80, 16 bytes long.
Data: < À~®ö > 18 C0 7E AE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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