Task 38626933
| Name | JNK1_RE_A13_A14_r0_1-QUICO_ATM_GAFF2_NAGL_JNK1_RE-0-6-RND2714_0 |
| Workunit | 31576975 |
| Created | 24 Apr 2026, 10:35:56 UTC |
| Sent | 24 Apr 2026, 10:37:11 UTC |
| Report deadline | 29 Apr 2026, 10:37:11 UTC |
| Received | 24 Apr 2026, 11:40:46 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652222 |
| Run time | 58 min 3 sec |
| CPU time | 53 min 20 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,981.32 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 687.58 MB |
| Peak swap size | 6.76 GB |
| Peak disk usage | 3.06 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:42:10 (9328): wrapper (7.9.26016): starting
12:42:10 (9328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A14_0.pdb
QB_A13_A14_0.xml
QB_A13_A14.inpcrd
QB_A13_A14_input.yaml
QB_A13_A14.pdb
QB_A13_A14.prmtop
QB_A13_A14_sys.xml
run.bat
run.sh
12:42:13 (9328): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:42:13 (9328): 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\7\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\7\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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "E:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "E:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "E:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\7\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\7\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\7\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
13:38:39 (9328): C:/Windows/system32/cmd.exe exited; CPU time 3200.093750
13:38:39 (9328): app exit status: 0x16
13:38:39 (9328): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 56776311 bytes.
Dumping objects ->
{3835226} normal block at 0x0000016F0FB98680, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835215} normal block at 0x0000016F0FB987D0, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x0000016F0FB98840, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835193} normal block at 0x0000016F0FB98AE0, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x0000016F0FB98A70, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835151} normal block at 0x0000016F11987F10, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835140} normal block at 0x0000016F119A0E00, 102 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) : {3835137} normal block at 0x0000016F0FB8E310, 8 bytes long.
Data: < o > 00 00 0D 10 6F 01 00 00
{3834544} normal block at 0x0000016F119A1640, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000016F0FB8DC80, 8 bytes long.
Data: <0Û· o > 30 DB B7 0F 6F 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000016F0FB81440, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000016F0FB82370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000016F0FB97A40, 16 bytes long.
Data: <xƒ¹ o > 78 83 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000016F0FB979F0, 16 bytes long.
Data: <Pƒ¹ o > 50 83 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000016F0FB8F9C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000016F0FB970E0, 16 bytes long.
Data: <(ƒ¹ o > 28 83 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000016F0FB97EF0, 16 bytes long.
Data: < ƒ¹ o > 00 83 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000016F0FB97E00, 16 bytes long.
Data: <Ø‚¹ o > D8 82 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016F0FB97B30, 16 bytes long.
Data: <°‚¹ o > B0 82 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016F0FB988B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000016F0FB97770, 16 bytes long.
Data: < ú· o > 08 FA B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016F0FB90620, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000016F0FB97090, 16 bytes long.
Data: <àù· o > E0 F9 B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016F0FB97450, 16 bytes long.
Data: <¸ù· o > B8 F9 B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016F0FB97E50, 16 bytes long.
Data: < ù· o > 90 F9 B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016F0FB97DB0, 16 bytes long.
Data: <hù· o > 68 F9 B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016F0FB97720, 16 bytes long.
Data: <@ù· o > 40 F9 B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016F0FB97270, 16 bytes long.
Data: < ù· o > 18 F9 B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016F0FB90260, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000016F0FB97F40, 16 bytes long.
Data: <ðø· o > F0 F8 B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016F0FB7F8F0, 320 bytes long.
Data: <@ ¹ o ` ¹ o > 40 7F B9 0F 6F 01 00 00 60 02 B9 0F 6F 01 00 00
{280} normal block at 0x0000016F0FB973B0, 16 bytes long.
Data: < ‚¹ o > 90 82 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016F0FB97810, 16 bytes long.
Data: <h‚¹ o > 68 82 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016F0FB906E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000016F0FB97130, 16 bytes long.
Data: <@‚¹ o > 40 82 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016F0FB90320, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000016F0FB979A0, 16 bytes long.
Data: < ¹ o > 88 81 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016F0FB976D0, 16 bytes long.
Data: <` ¹ o > 60 81 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016F0FB97AE0, 16 bytes long.
Data: <8 ¹ o > 38 81 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016F0FB97D10, 16 bytes long.
Data: < ¹ o > 10 81 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016F0FB97900, 16 bytes long.
Data: <è ¹ o > E8 80 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016F0FB97630, 16 bytes long.
Data: <À ¹ o > C0 80 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016F0FB97310, 16 bytes long.
Data: < ø· o > 80 F8 B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016F0FB7F880, 40 bytes long.
Data: < s¹ o o > 10 73 B9 0F 6F 01 00 00 10 7F 98 11 6F 01 00 00
{266} normal block at 0x0000016F0FB974F0, 16 bytes long.
Data: <  ¹ o > A0 80 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016F0FB975E0, 16 bytes long.
Data: <x ¹ o > 78 80 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016F0FB8FD20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000016F0FB971D0, 16 bytes long.
Data: <P ¹ o > 50 80 B9 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016F0FB98050, 992 bytes long.
Data: <Ðq¹ o ý¸ o > D0 71 B9 0F 6F 01 00 00 20 FD B8 0F 6F 01 00 00
{98} normal block at 0x0000016F0FB8FC60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000016F0FB8E2C0, 16 bytes long.
Data: < Ê· o > A0 CA B7 0F 6F 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000016F0FB7CAA0, 40 bytes long.
Data: <À⸠o `ü¸ o > C0 E2 B8 0F 6F 01 00 00 60 FC B8 0F 6F 01 00 00
{75} normal block at 0x0000016F0FB8D910, 16 bytes long.
Data: < ê¬O÷ > 80 EA AC 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000016F0FB8E450, 16 bytes long.
Data: <@é¬O÷ > 40 E9 AC 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000016F0FB8D5A0, 16 bytes long.
Data: <øW©O÷ > F8 57 A9 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000016F0FB8E1D0, 16 bytes long.
Data: <ØW©O÷ > D8 57 A9 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000016F0FB8D870, 16 bytes long.
Data: <P ©O÷ > 50 04 A9 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000016F0FB8E360, 16 bytes long.
Data: <0 ©O÷ > 30 04 A9 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000016F0FB8E270, 16 bytes long.
Data: <à ©O÷ > E0 02 A9 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000016F0FB8DB40, 16 bytes long.
Data: < ©O÷ > 10 04 A9 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000016F0FB8D690, 16 bytes long.
Data: <p ©O÷ > 70 04 A9 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000016F0FB8E040, 16 bytes long.
Data: < À§O÷ > 18 C0 A7 4F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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