Task 38638225
| Name | cdk8_A06_A26_r0_5-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND4461_7 |
| Workunit | 31575183 |
| Created | 30 Apr 2026, 3:11:37 UTC |
| Sent | 30 Apr 2026, 3:11:46 UTC |
| Report deadline | 5 May 2026, 3:11:46 UTC |
| Received | 1 May 2026, 1:08:03 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 592673 |
| Run time | 3 min 47 sec |
| CPU time | 31 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 11,994.97 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 324.98 MB |
| Peak swap size | 6.16 GB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
03:05:38 (12500): wrapper (7.9.26016): starting
03:05:38 (12500): 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
03:05:41 (12500): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:05:41 (12500): 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\3\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\3\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\3\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\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\3\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\3\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\3\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'
03:06:35 (12500): C:/Windows/system32/cmd.exe exited; CPU time 31.296875
03:06:35 (12500): app exit status: 0x16
03:06:35 (12500): called boinc_finish(195)
0 bytes in 0 Free Blocks.
656 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: 654255 bytes.
Dumping objects ->
{3835327} normal block at 0x00000233B19459A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835316} normal block at 0x00000233B1945B60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835305} normal block at 0x00000233B1945380, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835294} normal block at 0x00000233B1945150, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x00000233B1945E70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835252} normal block at 0x00000233B351BD50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835241} normal block at 0x00000233B19188D0, 200 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) : {3835238} normal block at 0x00000233B1920130, 8 bytes long.
Data: < ‹±3 > 00 00 8B B1 33 02 00 00
{3834587} normal block at 0x00000233B1918AF0, 200 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 0x00000233B19203B0, 8 bytes long.
Data: <°uW³3 > B0 75 57 B3 33 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000233B1920800, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000233B1905CE0, 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 0x00000233B1916440, 16 bytes long.
Data: < ’±3 > 98 1E 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000233B19160D0, 16 bytes long.
Data: <p ’±3 > 70 1E 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000233B191BF70, 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 0x00000233B1916080, 16 bytes long.
Data: <H ’±3 > 48 1E 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000233B19162B0, 16 bytes long.
Data: < ’±3 > 20 1E 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000233B1916BC0, 16 bytes long.
Data: <ø ’±3 > F8 1D 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000233B1916030, 16 bytes long.
Data: <Ð ’±3 > D0 1D 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000233B191AFB0, 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 0x00000233B1916B70, 16 bytes long.
Data: <x\ ±3 > 78 5C 90 B1 33 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000233B191C690, 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 0x00000233B1915EA0, 16 bytes long.
Data: <P\ ±3 > 50 5C 90 B1 33 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000233B1916A30, 16 bytes long.
Data: <(\ ±3 > 28 5C 90 B1 33 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000233B1916B20, 16 bytes long.
Data: < \ ±3 > 00 5C 90 B1 33 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000233B1915F90, 16 bytes long.
Data: <Ø[ ±3 > D8 5B 90 B1 33 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000233B1920220, 16 bytes long.
Data: <°[ ±3 > B0 5B 90 B1 33 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000233B19201D0, 16 bytes long.
Data: < [ ±3 > 88 5B 90 B1 33 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000233B191C990, 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 0x00000233B191FFA0, 16 bytes long.
Data: <`[ ±3 > 60 5B 90 B1 33 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000233B1905B60, 320 bytes long.
Data: <  ‘±3 É‘±3 > A0 FF 91 B1 33 02 00 00 90 C9 91 B1 33 02 00 00
{269} normal block at 0x00000233B1920180, 16 bytes long.
Data: <° ’±3 > B0 1D 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000233B191FDC0, 16 bytes long.
Data: < ’±3 > 88 1D 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000233B191C630, 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 0x00000233B1920360, 16 bytes long.
Data: <` ’±3 > 60 1D 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000233B191CBD0, 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 0x00000233B191FF50, 16 bytes long.
Data: <¨ ’±3 > A8 1C 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000233B1920310, 16 bytes long.
Data: < ’±3 > 80 1C 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000233B19202C0, 16 bytes long.
Data: <X ’±3 > 58 1C 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000233B19200E0, 16 bytes long.
Data: <0 ’±3 > 30 1C 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000233B191FE60, 16 bytes long.
Data: < ’±3 > 08 1C 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000233B191FE10, 16 bytes long.
Data: <à ’±3 > E0 1B 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000233B1920270, 16 bytes long.
Data: <P«‘±3 > 50 AB 91 B1 33 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000233B191AB50, 40 bytes long.
Data: <p ’±3 P Q³3 > 70 02 92 B1 33 02 00 00 50 BD 51 B3 33 02 00 00
{255} normal block at 0x00000233B19204A0, 16 bytes long.
Data: <À ’±3 > C0 1B 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000233B1920040, 16 bytes long.
Data: < ’±3 > 98 1B 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000233B191CC90, 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 0x00000233B1920450, 16 bytes long.
Data: <p ’±3 > 70 1B 92 B1 33 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000233B1921B70, 992 bytes long.
Data: <P ’±3 Ì‘±3 > 50 04 92 B1 33 02 00 00 90 CC 91 B1 33 02 00 00
{87} normal block at 0x00000233B191C3F0, 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 0x00000233B1916760, 16 bytes long.
Data: <0¬‘±3 > 30 AC 91 B1 33 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000233B191AC30, 40 bytes long.
Data: <`g‘±3 ðѱ3 > 60 67 91 B1 33 02 00 00 F0 C3 91 B1 33 02 00 00
{64} normal block at 0x00000233B1916580, 16 bytes long.
Data: < êIì÷ > 80 EA 49 EC F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000233B1916670, 16 bytes long.
Data: <@éIì÷ > 40 E9 49 EC F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000233B1916350, 16 bytes long.
Data: <øWFì÷ > F8 57 46 EC F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000233B1915D60, 16 bytes long.
Data: <ØWFì÷ > D8 57 46 EC F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000233B1916940, 16 bytes long.
Data: <P Fì÷ > 50 04 46 EC F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000233B19163A0, 16 bytes long.
Data: <0 Fì÷ > 30 04 46 EC F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000233B19161C0, 16 bytes long.
Data: <à Fì÷ > E0 02 46 EC F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000233B19168F0, 16 bytes long.
Data: < Fì÷ > 10 04 46 EC F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000233B1915CC0, 16 bytes long.
Data: <p Fì÷ > 70 04 46 EC F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000233B1916170, 16 bytes long.
Data: < ÀDì÷ > 18 C0 44 EC F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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