Task 38611285
| Name | TYK2_A04_A14_r0_1-QUICO_ATM_OpenFF_TYK2-4-6-RND3615_2 |
| Workunit | 31563434 |
| Created | 15 Apr 2026, 18:03:03 UTC |
| Sent | 15 Apr 2026, 18:03:09 UTC |
| Report deadline | 20 Apr 2026, 18:03:09 UTC |
| Received | 16 Apr 2026, 19:37:12 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 606121 |
| Run time | 11 hours 26 min 34 sec |
| CPU time | 11 hours 14 min 31 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 | 642.75 MB |
| Peak swap size | 5.32 GB |
| Peak disk usage | 4.07 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>
10:08:54 (20032): wrapper (7.9.26016): starting
10:08:54 (20032): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A14_0.pdb
QB_A04_A14_0.xml
QB_A04_A14.inpcrd
QB_A04_A14_input.yaml
QB_A04_A14.pdb
QB_A04_A14.prmtop
QB_A04_A14_sys.xml
run.bat
run.sh
10:08:56 (20032): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:08:56 (20032): 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\11\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\11\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\11\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "E:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "E:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "E:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\11\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\11\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\11\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
21:35:09 (20032): C:/Windows/system32/cmd.exe exited; CPU time 40471.312500
21:35:09 (20032): app exit status: 0x16
21:35:09 (20032): called boinc_finish(195)
0 bytes in 0 Free Blocks.
546 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: 631067187 bytes.
Dumping objects ->
{3835253} normal block at 0x0000029A87941480, 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 0x0000029A879416B0, 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 0x0000029A87940E60, 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 0x0000029A87941250, 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 0x0000029A879413A0, 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 0x0000029A879EB4C0, 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 0x0000029A879E0AA0, 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 0x0000029A85EE6640, 8 bytes long.
Data: < ‡š > 00 00 7F 87 9A 02 00 00
{3834552} normal block at 0x0000029A879E0280, 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 0x0000029A85EE64B0, 8 bytes long.
Data: <p‹¤‡š > 70 8B A4 87 9A 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000029A85EF15B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029A85EEC0F0, 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 0x0000029A85EF2F00, 16 bytes long.
Data: <Ø8ï…š > D8 38 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029A85EF2640, 16 bytes long.
Data: <°8ï…š > B0 38 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029A85EEC840, 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 0x0000029A85EF2B90, 16 bytes long.
Data: < 8ï…š > 88 38 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029A85EF2E60, 16 bytes long.
Data: <`8ï…š > 60 38 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029A85EF29B0, 16 bytes long.
Data: <88ï…š > 38 38 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029A85EF3220, 16 bytes long.
Data: < 8ï…š > 10 38 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029A85EEACD0, 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 0x0000029A85EF2FF0, 16 bytes long.
Data: < $ï…š > 88 24 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029A85EEC360, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000029A85EF2FA0, 16 bytes long.
Data: <`$ï…š > 60 24 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029A85EF2F50, 16 bytes long.
Data: <8$ï…š > 38 24 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029A85EF3180, 16 bytes long.
Data: < $ï…š > 10 24 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029A85EF32C0, 16 bytes long.
Data: <è#ï…š > E8 23 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029A85EF3130, 16 bytes long.
Data: <À#ï…š > C0 23 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029A85EF2730, 16 bytes long.
Data: < #ï…š > 98 23 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029A85EEC960, 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 0x0000029A85EF2EB0, 16 bytes long.
Data: <p#ï…š > 70 23 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029A85EF2370, 320 bytes long.
Data: <°.ï…š `Éî…š > B0 2E EF 85 9A 02 00 00 60 C9 EE 85 9A 02 00 00
{270} normal block at 0x0000029A85EF2E10, 16 bytes long.
Data: <ð7ï…š > F0 37 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029A85EF2AA0, 16 bytes long.
Data: <È7ï…š > C8 37 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029A85EECF00, 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 0x0000029A85EF2DC0, 16 bytes long.
Data: < 7ï…š > A0 37 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029A85EEC600, 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 0x0000029A85EF2BE0, 16 bytes long.
Data: <è6ï…š > E8 36 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029A85EF2820, 16 bytes long.
Data: <À6ï…š > C0 36 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029A85EF2D70, 16 bytes long.
Data: < 6ï…š > 98 36 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029A85EF2A00, 16 bytes long.
Data: <p6ï…š > 70 36 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029A85EF26E0, 16 bytes long.
Data: <H6ï…š > 48 36 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029A85EF3360, 16 bytes long.
Data: < 6ï…š > 20 36 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029A85EF2B40, 16 bytes long.
Data: <`¬î…š > 60 AC EE 85 9A 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000029A85EEAC60, 40 bytes long.
Data: <@+ï…š À´ž‡š > 40 2B EF 85 9A 02 00 00 C0 B4 9E 87 9A 02 00 00
{256} normal block at 0x0000029A85EF2960, 16 bytes long.
Data: < 6ï…š > 00 36 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000029A85EF2D20, 16 bytes long.
Data: <Ø5ï…š > D8 35 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000029A85EED020, 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 0x0000029A85EF34F0, 16 bytes long.
Data: <°5ï…š > B0 35 EF 85 9A 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000029A85EF35B0, 992 bytes long.
Data: <ð4ï…š Ðî…š > F0 34 EF 85 9A 02 00 00 20 D0 EE 85 9A 02 00 00
{88} normal block at 0x0000029A85EEC1E0, 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 0x0000029A85EE6910, 16 bytes long.
Data: < ®î…š > 90 AE EE 85 9A 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000029A85EEAE90, 40 bytes long.
Data: < iî…š àÁî…š > 10 69 EE 85 9A 02 00 00 E0 C1 EE 85 9A 02 00 00
{65} normal block at 0x0000029A85EE6820, 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 0x0000029A85EE6CD0, 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 0x0000029A85EE6AA0, 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 0x0000029A85EE6960, 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 0x0000029A85EE5D80, 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 0x0000029A85EE6C30, 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 0x0000029A85EE5EC0, 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 0x0000029A85EE6A00, 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 0x0000029A85EE5F10, 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 0x0000029A85EE6730, 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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