Task 38626993
| Name | JNK1_RE_A16_A09_r0_5-QUICO_ATM_GAFF2_NAGL_JNK1_RE-0-6-RND9073_0 |
| Workunit | 31577033 |
| Created | 24 Apr 2026, 10:39:07 UTC |
| Sent | 24 Apr 2026, 10:40:12 UTC |
| Report deadline | 29 Apr 2026, 10:40:12 UTC |
| Received | 24 Apr 2026, 12:10:41 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638259 |
| Run time | 1 hours 28 min 38 sec |
| CPU time | 1 hours 17 min 51 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,070.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 573.11 MB |
| Peak swap size | 3.72 GB |
| Peak disk usage | 2.79 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>
05:41:59 (18628): wrapper (7.9.26016): starting
05:41:59 (18628): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A09_0.pdb
QB_A16_A09_0.xml
QB_A16_A09.inpcrd
QB_A16_A09_input.yaml
QB_A16_A09.pdb
QB_A16_A09.prmtop
QB_A16_A09_sys.xml
run.bat
run.sh
05:42:04 (18628): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:42:04 (18628): 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\9\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\9\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\9\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\9\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\9\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\9\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
07:09:00 (18628): C:/Windows/system32/cmd.exe exited; CPU time 4671.671875
07:09:00 (18628): app exit status: 0x16
07:09:00 (18628): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 84017903 bytes.
Dumping objects ->
{3835273} normal block at 0x000001ADE7ADDF80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x000001ADE7ADD7A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x000001ADE5E84B10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835240} normal block at 0x000001ADE5E84AA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000001ADE5E84CD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835198} normal block at 0x000001ADE7B2B900, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x000001ADE7B3EB50, 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) : {3835184} normal block at 0x000001ADE5E7D070, 8 bytes long.
Data: < æ­ > 00 00 1F E6 AD 01 00 00
{3834563} normal block at 0x000001ADE7B3ECB0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001ADE5E7CF80, 8 bytes long.
Data: <07¸ç­ > 30 37 B8 E7 AD 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001ADE5E70F80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001ADE5E71DB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001ADE5E85C20, 16 bytes long.
Data: <¨eèå­ > A8 65 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ADE5E86030, 16 bytes long.
Data: < eèå­ > 80 65 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ADE5E81210, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001ADE5E85F40, 16 bytes long.
Data: <Xeèå­ > 58 65 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ADE5E85FE0, 16 bytes long.
Data: <0eèå­ > 30 65 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ADE5E85900, 16 bytes long.
Data: < eèå­ > 08 65 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ADE5E85720, 16 bytes long.
Data: <àdèå­ > E0 64 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001ADE5E84DB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001ADE5E85DB0, 16 bytes long.
Data: <È çå­ > C8 06 E7 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ADE5E807F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001ADE5E854A0, 16 bytes long.
Data: <  çå­ > A0 06 E7 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ADE5E861C0, 16 bytes long.
Data: <x çå­ > 78 06 E7 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ADE5E85D60, 16 bytes long.
Data: <P çå­ > 50 06 E7 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ADE5E85680, 16 bytes long.
Data: <( çå­ > 28 06 E7 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ADE5E85450, 16 bytes long.
Data: < çå­ > 00 06 E7 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ADE5E85EF0, 16 bytes long.
Data: <Ø çå­ > D8 05 E7 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ADE5E80C10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001ADE5E85400, 16 bytes long.
Data: <° çå­ > B0 05 E7 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ADE5E705B0, 320 bytes long.
Data: < Tèå­ èå­ > 00 54 E8 E5 AD 01 00 00 10 0C E8 E5 AD 01 00 00
{273} normal block at 0x000001ADE5E85F90, 16 bytes long.
Data: <Àdèå­ > C0 64 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ADE5E856D0, 16 bytes long.
Data: < dèå­ > 98 64 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ADE5E80D90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001ADE5E853B0, 16 bytes long.
Data: <pdèå­ > 70 64 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ADE5E810F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001ADE5E85810, 16 bytes long.
Data: <¸cèå­ > B8 63 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ADE5E85CC0, 16 bytes long.
Data: < cèå­ > 90 63 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ADE5E855E0, 16 bytes long.
Data: <hcèå­ > 68 63 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ADE5E85AE0, 16 bytes long.
Data: <@cèå­ > 40 63 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ADE5E85EA0, 16 bytes long.
Data: < cèå­ > 18 63 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ADE5E85C70, 16 bytes long.
Data: <ðbèå­ > F0 62 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ADE5E85E00, 16 bytes long.
Data: <@Mèå­ > 40 4D E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001ADE5E84D40, 40 bytes long.
Data: < ^èå­ ¹²ç­ > 00 5E E8 E5 AD 01 00 00 00 B9 B2 E7 AD 01 00 00
{259} normal block at 0x000001ADE5E85D10, 16 bytes long.
Data: <Ðbèå­ > D0 62 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001ADE5E85B80, 16 bytes long.
Data: <¨bèå­ > A8 62 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001ADE5E812D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001ADE5E857C0, 16 bytes long.
Data: < bèå­ > 80 62 E8 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001ADE5E86280, 992 bytes long.
Data: <ÀWèå­ Ð èå­ > C0 57 E8 E5 AD 01 00 00 D0 12 E8 E5 AD 01 00 00
{91} normal block at 0x000001ADE5E81690, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001ADE5E7DED0, 16 bytes long.
Data: < äæå­ > 10 E4 E6 E5 AD 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001ADE5E6E410, 40 bytes long.
Data: <ÐÞçå­ èå­ > D0 DE E7 E5 AD 01 00 00 90 16 E8 E5 AD 01 00 00
{68} normal block at 0x000001ADE5E7DE80, 16 bytes long.
Data: < ê ô÷ > 80 EA 0C F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ADE5E7DC50, 16 bytes long.
Data: <@é ô÷ > 40 E9 0C F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ADE5E7D250, 16 bytes long.
Data: <øW ô÷ > F8 57 09 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ADE5E7D110, 16 bytes long.
Data: <ØW ô÷ > D8 57 09 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ADE5E7DB60, 16 bytes long.
Data: <P ô÷ > 50 04 09 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ADE5E7DD90, 16 bytes long.
Data: <0 ô÷ > 30 04 09 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ADE5E7D1B0, 16 bytes long.
Data: <à ô÷ > E0 02 09 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001ADE5E7DA70, 16 bytes long.
Data: < ô÷ > 10 04 09 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001ADE5E7D610, 16 bytes long.
Data: <p ô÷ > 70 04 09 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001ADE5E7D890, 16 bytes long.
Data: < À ô÷ > 18 C0 07 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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