Task 38627553
| Name | cdk8_A21_A18_r0_2-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND6402_2 |
| Workunit | 31575279 |
| Created | 24 Apr 2026, 12:18:43 UTC |
| Sent | 24 Apr 2026, 12:22:15 UTC |
| Report deadline | 29 Apr 2026, 12:22:15 UTC |
| Received | 24 Apr 2026, 14:28:52 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 608046 |
| Run time | 4 min 46 sec |
| CPU time | 4 min 30 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 58,716.15 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 806.77 MB |
| Peak swap size | 7.21 GB |
| Peak disk usage | 2.82 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
K�ytt�j�rjestelm� ei voi suorittaa ohjelmaa (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:40:01 (61268): wrapper (7.9.26016): starting
15:40:01 (61268): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A18_0.pdb
QB_A21_A18_0.xml
QB_A21_A18.inpcrd
QB_A21_A18_input.yaml
QB_A21_A18.pdb
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835523} normal block at 0x000001B73341EE40, 8 bytes long.
Data: < ~3 > 00 00 7E 33 B7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833976} normal block at 0x000001B733426D20, 1080 bytes long.
Data: <P/ > 50 2F 01 00 CD CD CD CD 8C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001B733428980, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:22:13 (57328): wrapper (7.9.26016): starting
17:22:13 (57328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A18_0.pdb
QB_A21_A18_0.xml
QB_A21_A18.inpcrd
QB_A21_A18_input.yaml
QB_A21_A18.pdb
QB_A21_A18.prmtop
QB_A21_A18_sys.xml
run.bat
run.sh
17:22:14 (57328): Library/usr/bin/tar.exe exited; CPU time 0.046875
17:22:14 (57328): 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 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_UNKNOWN (999)
17:26:59 (57328): C:/Windows/system32/cmd.exe exited; CPU time 270.093750
17:26:59 (57328): app exit status: 0x16
17:26:59 (57328): 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: 6727039 bytes.
Dumping objects ->
{1947} normal block at 0x000002C987F31710, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1936} normal block at 0x000002C987F310F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1925} normal block at 0x000002C987F31240, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1914} normal block at 0x000002C987F316A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1903} normal block at 0x000002C987F312B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1872} normal block at 0x000002C987F20760, 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) : {1859} normal block at 0x000002C987F37870, 8 bytes long.
Data: < > 00 00 EB 87 C9 02 00 00
{313} normal block at 0x000002C987F369C0, 8 bytes long.
Data: < } > A0 7D F3 87 C9 02 00 00
{305} normal block at 0x000002C987F22A80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x000002C987F36D80, 16 bytes long.
Data: < | > A8 7C F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002C987F377D0, 16 bytes long.
Data: < | > 80 7C F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002C987F30790, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x000002C987F36FB0, 16 bytes long.
Data: <X| > 58 7C F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002C987F36A10, 16 bytes long.
Data: <0| > 30 7C F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002C987F37140, 16 bytes long.
Data: < | > 08 7C F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002C987F36E20, 16 bytes long.
Data: < { > E0 7B F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002C987F314E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x000002C987F37780, 16 bytes long.
Data: <X > 58 FB F1 87 C9 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002C987F30F70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x000002C987F37280, 16 bytes long.
Data: <0 > 30 FB F1 87 C9 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002C987F36C40, 16 bytes long.
Data: < > 08 FB F1 87 C9 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002C987F37690, 16 bytes long.
Data: < > E0 FA F1 87 C9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002C987F37190, 16 bytes long.
Data: < > B8 FA F1 87 C9 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002C987F36BF0, 16 bytes long.
Data: < > 90 FA F1 87 C9 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002C987F36CE0, 16 bytes long.
Data: <h > 68 FA F1 87 C9 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002C987F30370, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x000002C987F37820, 16 bytes long.
Data: <@ > 40 FA F1 87 C9 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002C987F1FA40, 320 bytes long.
Data: < x p > 20 78 F3 87 C9 02 00 00 70 03 F3 87 C9 02 00 00
{284} normal block at 0x000002C987F36BA0, 16 bytes long.
Data: < { > C0 7B F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C987F373C0, 16 bytes long.
Data: < { > 98 7B F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C987F300D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x000002C987F36B00, 16 bytes long.
Data: <p{ > 70 7B F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C987F30190, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x000002C987F37640, 16 bytes long.
Data: < z > B8 7A F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002C987F375F0, 16 bytes long.
Data: < z > 90 7A F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002C987F375A0, 16 bytes long.
Data: <hz > 68 7A F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C987F37730, 16 bytes long.
Data: <@z > 40 7A F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002C987F37550, 16 bytes long.
Data: < z > 18 7A F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C987F37500, 16 bytes long.
Data: < y > F0 79 F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C987F374B0, 16 bytes long.
Data: <0 > 30 16 F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C987F31630, 40 bytes long.
Data: < t ` > B0 74 F3 87 C9 02 00 00 60 07 F2 87 C9 02 00 00
{270} normal block at 0x000002C987F37320, 16 bytes long.
Data: < y > D0 79 F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C987F378C0, 16 bytes long.
Data: < y > A8 79 F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002C987F305B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x000002C987F370A0, 16 bytes long.
Data: < y > 80 79 F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C987F37980, 992 bytes long.
Data: < p > A0 70 F3 87 C9 02 00 00 B0 05 F3 87 C9 02 00 00
{102} normal block at 0x000002C987F309D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x000002C987F2E320, 16 bytes long.
Data: <` > 60 11 F3 87 C9 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x000002C987F31160, 40 bytes long.
Data: < > 20 E3 F2 87 C9 02 00 00 D0 09 F3 87 C9 02 00 00
{79} normal block at 0x000002C987F2DF10, 16 bytes long.
Data: < : > 80 EA 3A 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002C987F2EB90, 16 bytes long.
Data: <@ : > 40 E9 3A 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002C987F2E370, 16 bytes long.
Data: < W7 > F8 57 37 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002C987F2E7D0, 16 bytes long.
Data: < W7 > D8 57 37 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002C987F2E910, 16 bytes long.
Data: <P 7 > 50 04 37 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002C987F2EAF0, 16 bytes long.
Data: <0 7 > 30 04 37 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002C987F2E280, 16 bytes long.
Data: < 7 > E0 02 37 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002C987F2E780, 16 bytes long.
Data: < 7 > 10 04 37 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002C987F2E050, 16 bytes long.
Data: <p 7 > 70 04 37 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002C987F2E870, 16 bytes long.
Data: < 5 > 18 C0 35 91 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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