Task 38612358
| Name | TYK2_A16_A04_r0_2-QUICO_ATM_OpenFF_TYK2-3-6-RND7692_0 |
| Workunit | 31564977 |
| Created | 16 Apr 2026, 6:17:18 UTC |
| Sent | 16 Apr 2026, 6:17:24 UTC |
| Report deadline | 21 Apr 2026, 6:17:24 UTC |
| Received | 16 Apr 2026, 18:55:47 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 606121 |
| Run time | 2 hours 3 min 19 sec |
| CPU time | 1 hours 58 min 13 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 17,953.15 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 602.26 MB |
| Peak swap size | 5.29 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Az oper�ci�s rendszer nem tudja futtatni a k�vetkez� programot: (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:52:40 (3308): wrapper (7.9.26016): starting
18:52:40 (3308): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A04_0.pdb
QB_A16_A04_0.xml
QB_A16_A04.inpcrd
QB_A16_A04_input.yaml
QB_A16_A04.pdb
QB_A16_A04.prmtop
QB_A16_A04_sys.xml
run.bat
run.sh
18:52:42 (3308): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:52:42 (3308): 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 'E:\ProgramData\BOINC\slots\13\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 'E:\ProgramData\BOINC\slots\13\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 "E:\ProgramData\BOINC\slots\13\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "E:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "E:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "E:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\13\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
20:53:29 (3308): C:/Windows/system32/cmd.exe exited; CPU time 7093.328125
20:53:29 (3308): app exit status: 0x16
20:53:29 (3308): called boinc_finish(195)
0 bytes in 0 Free Blocks.
546 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 110445271 bytes.
Dumping objects ->
{3835253} normal block at 0x0000023EED231090, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x0000023EED230DF0, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x0000023EED230A70, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835220} normal block at 0x0000023EED230BC0, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x0000023EED230D80, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835178} normal block at 0x0000023EED2DB540, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835167} normal block at 0x0000023EED2D0900, 145 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) : {3835164} normal block at 0x0000023EEB7D6280, 8 bytes long.
Data: < yë> > 00 00 79 EB 3E 02 00 00
{3834552} normal block at 0x0000023EED2D0420, 145 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x0000023EEB7D6B40, 8 bytes long.
Data: <p‹3í> > 70 8B 33 ED 3E 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000023EEB7E15B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023EEB7DC0F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000023EEB7E3040, 16 bytes long.
Data: <Ø8~ë> > D8 38 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023EEB7E3540, 16 bytes long.
Data: <°8~ë> > B0 38 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023EEB7DCD80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000023EEB7E3360, 16 bytes long.
Data: < 8~ë> > 88 38 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023EEB7E2F00, 16 bytes long.
Data: <`8~ë> > 60 38 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023EEB7E2730, 16 bytes long.
Data: <88~ë> > 38 38 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023EEB7E3270, 16 bytes long.
Data: < 8~ë> > 10 38 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023EEB7DB050, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000023EEB7E34A0, 16 bytes long.
Data: < $~ë> > 88 24 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023EEB7DC9C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000023EEB7E2EB0, 16 bytes long.
Data: <`$~ë> > 60 24 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023EEB7E2A50, 16 bytes long.
Data: <8$~ë> > 38 24 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023EEB7E2F50, 16 bytes long.
Data: < $~ë> > 10 24 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023EEB7E3310, 16 bytes long.
Data: <è#~ë> > E8 23 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023EEB7E29B0, 16 bytes long.
Data: <À#~ë> > C0 23 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023EEB7E2E60, 16 bytes long.
Data: < #~ë> > 98 23 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023EEB7DCC00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000023EEB7E3450, 16 bytes long.
Data: <p#~ë> > 70 23 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023EEB7E2370, 320 bytes long.
Data: <P4~ë> Ì}ë> > 50 34 7E EB 3E 02 00 00 00 CC 7D EB 3E 02 00 00
{270} normal block at 0x0000023EEB7E3400, 16 bytes long.
Data: <ð7~ë> > F0 37 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023EEB7E2C30, 16 bytes long.
Data: <È7~ë> > C8 37 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023EEB7DCCC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000023EEB7E2DC0, 16 bytes long.
Data: < 7~ë> > A0 37 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023EEB7DCF60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000023EEB7E33B0, 16 bytes long.
Data: <è6~ë> > E8 36 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023EEB7E2B90, 16 bytes long.
Data: <À6~ë> > C0 36 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023EEB7E32C0, 16 bytes long.
Data: < 6~ë> > 98 36 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023EEB7E2E10, 16 bytes long.
Data: <p6~ë> > 70 36 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023EEB7E2910, 16 bytes long.
Data: <H6~ë> > 48 36 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023EEB7E2CD0, 16 bytes long.
Data: < 6~ë> > 20 36 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023EEB7E2D70, 16 bytes long.
Data: < }ë> > 10 B2 7D EB 3E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023EEB7DB210, 40 bytes long.
Data: <p-~ë> @µ-í> > 70 2D 7E EB 3E 02 00 00 40 B5 2D ED 3E 02 00 00
{256} normal block at 0x0000023EEB7E2960, 16 bytes long.
Data: < 6~ë> > 00 36 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023EEB7E2FF0, 16 bytes long.
Data: <Ø5~ë> > D8 35 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000023EEB7DCB40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000023EEB7E34F0, 16 bytes long.
Data: <°5~ë> > B0 35 7E EB 3E 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000023EEB7E35B0, 992 bytes long.
Data: <ð4~ë> @Ë}ë> > F0 34 7E EB 3E 02 00 00 40 CB 7D EB 3E 02 00 00
{88} normal block at 0x0000023EEB7DC780, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000023EEB7D68C0, 16 bytes long.
Data: <p¯}ë> > 70 AF 7D EB 3E 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000023EEB7DAF70, 40 bytes long.
Data: <Àh}ë> Ç}ë> > C0 68 7D EB 3E 02 00 00 80 C7 7D EB 3E 02 00 00
{65} normal block at 0x0000023EEB7D6730, 16 bytes long.
Data: < ê©´ö > 80 EA A9 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023EEB7D6CD0, 16 bytes long.
Data: <@é©´ö > 40 E9 A9 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023EEB7D6460, 16 bytes long.
Data: <øW¦´ö > F8 57 A6 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023EEB7D5FB0, 16 bytes long.
Data: <ØW¦´ö > D8 57 A6 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023EEB7D6AF0, 16 bytes long.
Data: <P ¦´ö > 50 04 A6 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023EEB7D6640, 16 bytes long.
Data: <0 ¦´ö > 30 04 A6 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023EEB7D61E0, 16 bytes long.
Data: <à ¦´ö > E0 02 A6 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023EEB7D65F0, 16 bytes long.
Data: < ¦´ö > 10 04 A6 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023EEB7D6230, 16 bytes long.
Data: <p ¦´ö > 70 04 A6 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023EEB7D65A0, 16 bytes long.
Data: < À¤´ö > 18 C0 A4 B4 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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