Task 38628223
| Name | cdk8_A31_A19_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND0011_3 |
| Workunit | 31577429 |
| Created | 24 Apr 2026, 16:59:20 UTC |
| Sent | 24 Apr 2026, 16:59:26 UTC |
| Report deadline | 29 Apr 2026, 16:59:26 UTC |
| Received | 25 Apr 2026, 1:39:32 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 607118 |
| Run time | 3 min 23 sec |
| CPU time | 13 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,442.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 572.35 MB |
| Peak swap size | 9.41 GB |
| Peak disk usage | 4.08 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
04:31:11 (7824): wrapper (7.9.26016): starting
04:31:11 (7824): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A19.inpcrd
QB_A31_A19_input.yaml
QB_A31_A19.pdb
QB_A31_A19.prmtop
QB_A31_A19_sys.xml
run.bat
run.sh
04:31:13 (7824): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:31:13 (7824): 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\14\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\14\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\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\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\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\14\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\14\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_A31_A19_0.xml'
04:31:52 (7824): C:/Windows/system32/cmd.exe exited; CPU time 13.890625
04:31:52 (7824): app exit status: 0x16
04:31:52 (7824): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 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: 379941 bytes.
Dumping objects ->
{3835309} normal block at 0x000001BDC7300E60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000001BDC7300B50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000001BDC7300AE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x000001BDC7300DF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001BDC73012C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x000001BDC73AB540, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001BDC74510C0, 180 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) : {3835220} normal block at 0x000001BDC57E6CB0, 8 bytes long.
Data: < rŽ > 00 00 72 C5 BD 01 00 00
{3834574} normal block at 0x000001BDC7450940, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001BDC57E6C60, 8 bytes long.
Data: <à Ž > E0 1E 7F C5 BD 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001BDC57F1330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BDC57D5BE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001BDC57F2FF0, 16 bytes long.
Data: <¨6 Ž > A8 36 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BDC57F3270, 16 bytes long.
Data: <€6 Ž > 80 36 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BDC57EE2B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001BDC57F2E60, 16 bytes long.
Data: <X6 Ž > 58 36 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BDC57F30E0, 16 bytes long.
Data: <06 Ž > 30 36 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BDC57F2D70, 16 bytes long.
Data: < 6 Ž > 08 36 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BDC57F2DC0, 16 bytes long.
Data: <à5 Ž > E0 35 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BDC57EE810, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001BDC57F2EB0, 16 bytes long.
Data: <x[}Ž > 78 5B 7D C5 BD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BDC57ED470, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001BDC57F2D20, 16 bytes long.
Data: <P[}Ž > 50 5B 7D C5 BD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BDC57F2CD0, 16 bytes long.
Data: <([}Ž > 28 5B 7D C5 BD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BDC57F3310, 16 bytes long.
Data: < [}Ž > 00 5B 7D C5 BD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BDC57F2E10, 16 bytes long.
Data: <ØZ}Ž > D8 5A 7D C5 BD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BDC57F2820, 16 bytes long.
Data: <°Z}Ž > B0 5A 7D C5 BD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BDC57F31D0, 16 bytes long.
Data: < Z}Ž > 88 5A 7D C5 BD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BDC57EDDD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001BDC57F3130, 16 bytes long.
Data: <`Z}Ž > 60 5A 7D C5 BD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BDC57D5A60, 320 bytes long.
Data: <01 Ž ÐÝ~Ž > 30 31 7F C5 BD 01 00 00 D0 DD 7E C5 BD 01 00 00
{269} normal block at 0x000001BDC57F2410, 16 bytes long.
Data: <À5 Ž > C0 35 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BDC57F2FA0, 16 bytes long.
Data: < 5 Ž > 98 35 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BDC57ED410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001BDC57F26E0, 16 bytes long.
Data: <p5 Ž > 70 35 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BDC57EE010, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001BDC57F2C80, 16 bytes long.
Data: <¸4 Ž > B8 34 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BDC57F2C30, 16 bytes long.
Data: <4 Ž > 90 34 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BDC57F3040, 16 bytes long.
Data: <h4 Ž > 68 34 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BDC57F2BE0, 16 bytes long.
Data: <@4 Ž > 40 34 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BDC57F25A0, 16 bytes long.
Data: < 4 Ž > 18 34 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BDC57F2B90, 16 bytes long.
Data: <ð3 Ž > F0 33 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BDC57F2B40, 16 bytes long.
Data: <Àæ~Ž > C0 E6 7E C5 BD 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BDC57EE6C0, 40 bytes long.
Data: <@+ Ž @µ:ǽ > 40 2B 7F C5 BD 01 00 00 40 B5 3A C7 BD 01 00 00
{255} normal block at 0x000001BDC57F2AA0, 16 bytes long.
Data: <Ð3 Ž > D0 33 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001BDC57F2AF0, 16 bytes long.
Data: <¨3 Ž > A8 33 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001BDC57EDBF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001BDC57F2F50, 16 bytes long.
Data: <€3 Ž > 80 33 7F C5 BD 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001BDC57F3380, 992 bytes long.
Data: <P/ Ž ðÛ~Ž > 50 2F 7F C5 BD 01 00 00 F0 DB 7E C5 BD 01 00 00
{87} normal block at 0x000001BDC57ED950, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001BDC57E6800, 16 bytes long.
Data: <ä~Ž > 90 E4 7E C5 BD 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001BDC57EE490, 40 bytes long.
Data: < h~Ž PÙ~Ž > 00 68 7E C5 BD 01 00 00 50 D9 7E C5 BD 01 00 00
{64} normal block at 0x000001BDC57E67B0, 16 bytes long.
Data: <€ê P÷ > 80 EA 0F 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BDC57E68F0, 16 bytes long.
Data: <@é P÷ > 40 E9 0F 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BDC57E6C10, 16 bytes long.
Data: <øW P÷ > F8 57 0C 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BDC57E6710, 16 bytes long.
Data: <ØW P÷ > D8 57 0C 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BDC57E6490, 16 bytes long.
Data: <P P÷ > 50 04 0C 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BDC57E6BC0, 16 bytes long.
Data: <0 P÷ > 30 04 0C 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BDC57E6A30, 16 bytes long.
Data: <à P÷ > E0 02 0C 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001BDC57E7020, 16 bytes long.
Data: < P÷ > 10 04 0C 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001BDC57E66C0, 16 bytes long.
Data: <p P÷ > 70 04 0C 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001BDC57E6D00, 16 bytes long.
Data: < À P÷ > 18 C0 0A 50 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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