Task 38584164
| Name | JNK1_A20_A30_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND3877_1 |
| Workunit | 31545187 |
| Created | 16 Dec 2025, 14:28:48 UTC |
| Sent | 16 Dec 2025, 14:28:53 UTC |
| Report deadline | 21 Dec 2025, 14:28:53 UTC |
| Received | 16 Dec 2025, 14:35:13 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628418 |
| Run time | 1 min 36 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,334.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 51.98 MB |
| Peak swap size | 40.02 MB |
| Peak disk usage | 3.06 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
14:32:45 (34564): wrapper (7.9.26016): starting
14:32:45 (34564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A30_0.pdb
QB_A20_A30_0.xml
QB_A20_A30_equil.pdb
QB_A20_A30.inpcrd
QB_A20_A30_input.yaml
QB_A20_A30_mdlambda.pdb
QB_A20_A30_min.pdb
QB_A20_A30_npt.pdb
QB_A20_A30_out_merged_nowater.pdb
QB_A20_A30.pdb
QB_A20_A30.prmtop
QB_A20_A30_sys.xml
QB_A20_A30_therm.pdb
run.bat
run.sh
14:32:47 (34564): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:32:47 (34564): 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 'D:\BOINC_DATA\slots\0\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 'D:\BOINC_DATA\slots\0\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 "D:\BOINC_DATA\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\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 "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
14:33:09 (34564): C:/Windows/system32/cmd.exe exited; CPU time 1.750000
14:33:09 (34564): app exit status: 0x16
14:33:09 (34564): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 635101 bytes.
Dumping objects ->
{3835327} normal block at 0x0000020955691560, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835316} normal block at 0x00000209557F46C0, 32 bytes long.
Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835305} normal block at 0x00000209557F5260, 32 bytes long.
Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835294} normal block at 0x00000209557F5620, 32 bytes long.
Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835283} normal block at 0x00000209557F5320, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835252} normal block at 0x0000020955691170, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835241} normal block at 0x0000020953BB6E90, 180 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 0x0000020953B46E10, 8 bytes long.
Data: < jU > 00 00 6A 55 09 02 00 00
{3834596} normal block at 0x0000020953BB78E0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x0000020953B46DC0, 8 bytes long.
Data: < r U > 00 72 7F 55 09 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000020953B51920, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000020953B36230, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000020953B52E60, 16 bytes long.
Data: < >µS > 18 3E B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020953B52DC0, 16 bytes long.
Data: <ð=µS > F0 3D B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020953B4BE90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000020953B53360, 16 bytes long.
Data: <È=µS > C8 3D B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020953B52F00, 16 bytes long.
Data: < =µS > A0 3D B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020953B531D0, 16 bytes long.
Data: <x=µS > 78 3D B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020953B532C0, 16 bytes long.
Data: <P=µS > 50 3D B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020953B4D710, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000020953B53180, 16 bytes long.
Data: <Èa³S > C8 61 B3 53 09 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020953B4B9B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000020953B52A50, 16 bytes long.
Data: < a³S > A0 61 B3 53 09 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020953B53270, 16 bytes long.
Data: <xa³S > 78 61 B3 53 09 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020953B52D70, 16 bytes long.
Data: <Pa³S > 50 61 B3 53 09 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020953B52E10, 16 bytes long.
Data: <(a³S > 28 61 B3 53 09 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020953B530E0, 16 bytes long.
Data: < a³S > 00 61 B3 53 09 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020953B52C80, 16 bytes long.
Data: <Ø`³S > D8 60 B3 53 09 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020953B4BE30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000020953B52960, 16 bytes long.
Data: <°`³S > B0 60 B3 53 09 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020953B360B0, 320 bytes long.
Data: <`)µS 0¾´S > 60 29 B5 53 09 02 00 00 30 BE B4 53 09 02 00 00
{279} normal block at 0x0000020953B53310, 16 bytes long.
Data: <0=µS > 30 3D B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020953B52B90, 16 bytes long.
Data: < =µS > 08 3D B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020953B4BD70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000020953B527D0, 16 bytes long.
Data: <à<µS > E0 3C B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020953B4BBF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000020953B52910, 16 bytes long.
Data: <(<µS > 28 3C B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020953B53540, 16 bytes long.
Data: < <µS > 00 3C B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020953B534A0, 16 bytes long.
Data: <Ø;µS > D8 3B B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020953B52BE0, 16 bytes long.
Data: <°;µS > B0 3B B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020953B52730, 16 bytes long.
Data: < ;µS > 88 3B B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020953B52C30, 16 bytes long.
Data: <`;µS > 60 3B B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020953B52FF0, 16 bytes long.
Data: <0Ö´S > 30 D6 B4 53 09 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020953B4D630, 40 bytes long.
Data: <ð/µS p iU > F0 2F B5 53 09 02 00 00 70 11 69 55 09 02 00 00
{265} normal block at 0x0000020953B53450, 16 bytes long.
Data: <@;µS > 40 3B B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020953B52D20, 16 bytes long.
Data: < ;µS > 18 3B B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020953B4BDD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000020953B53630, 16 bytes long.
Data: <ð:µS > F0 3A B5 53 09 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020953B53AF0, 992 bytes long.
Data: <06µS н´S > 30 36 B5 53 09 02 00 00 D0 BD B4 53 09 02 00 00
{97} normal block at 0x0000020953B4B950, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000020953B47360, 16 bytes long.
Data: < Ö´S > A0 D6 B4 53 09 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000020953B4D6A0, 40 bytes long.
Data: <`s´S P¹´S > 60 73 B4 53 09 02 00 00 50 B9 B4 53 09 02 00 00
{74} normal block at 0x0000020953B46C30, 16 bytes long.
Data: < ê„ýö > 80 EA 84 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000020953B46F50, 16 bytes long.
Data: <@é„ýö > 40 E9 84 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000020953B47950, 16 bytes long.
Data: <øW ýö > F8 57 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020953B47220, 16 bytes long.
Data: <ØW ýö > D8 57 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020953B47310, 16 bytes long.
Data: <P ýö > 50 04 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020953B47900, 16 bytes long.
Data: <0 ýö > 30 04 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020953B46B90, 16 bytes long.
Data: <à ýö > E0 02 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020953B472C0, 16 bytes long.
Data: < ýö > 10 04 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020953B478B0, 16 bytes long.
Data: <p ýö > 70 04 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020953B47860, 16 bytes long.
Data: < À ýö > 18 C0 7F FD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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