Task 38596650
| Name | JNK1_A02_A11_r0_5-QUICO_ATM_GAFF2_NAGL_JNK1-0-6-RND0802_0 |
| Workunit | 31552601 |
| Created | 8 Apr 2026, 7:31:26 UTC |
| Sent | 8 Apr 2026, 7:35:30 UTC |
| Report deadline | 13 Apr 2026, 7:35:30 UTC |
| Received | 8 Apr 2026, 12:49:06 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638259 |
| Run time | 5 hours 7 min |
| CPU time | 4 hours 32 min 27 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,070.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 612.14 MB |
| Peak swap size | 3.82 GB |
| Peak disk usage | 2.99 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
02:41:34 (23408): wrapper (7.9.26016): starting
02:41:34 (23408): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A11_0.pdb
QB_A02_A11_0.xml
QB_A02_A11.inpcrd
QB_A02_A11_input.yaml
QB_A02_A11.pdb
QB_A02_A11.prmtop
QB_A02_A11_sys.xml
run.bat
run.sh
02:41:36 (23408): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:41:36 (23408): 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
07:47:10 (23408): C:/Windows/system32/cmd.exe exited; CPU time 16347.171875
07:47:10 (23408): app exit status: 0x16
07:47:10 (23408): 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: 291586025 bytes.
Dumping objects ->
{3835273} normal block at 0x0000027018E9D080, 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 0x0000027018E9C830, 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 0x0000027018E9C910, 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 0x0000027018E9C2F0, 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 0x0000027018E9CD70, 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 0x000002701AA8D090, 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 0x000002701AAA2220, 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 0x0000027018E6E190, 8 bytes long.
Data: < ' p > 00 00 27 19 70 02 00 00
{3834563} normal block at 0x000002701AAA1E00, 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 0x0000027018E6E230, 8 bytes long.
Data: <Pu± p > 50 75 B1 1A 70 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000027018E664F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027018E647B0, 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 0x0000027018E79CF0, 16 bytes long.
Data: <(¡ç p > 28 A1 E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027018E790C0, 16 bytes long.
Data: < ¡ç p > 00 A1 E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027018E74B20, 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 0x0000027018E79C00, 16 bytes long.
Data: <Ø ç p > D8 A0 E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027018E797F0, 16 bytes long.
Data: <° ç p > B0 A0 E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027018E79750, 16 bytes long.
Data: <  ç p > 88 A0 E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027018E79700, 16 bytes long.
Data: <` ç p > 60 A0 E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027018E72EB0, 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 0x0000027018E79070, 16 bytes long.
Data: <(4æ p > 28 34 E6 18 70 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027018E74F40, 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 0x0000027018E79110, 16 bytes long.
Data: < 4æ p > 00 34 E6 18 70 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027018E79340, 16 bytes long.
Data: <Ø3æ p > D8 33 E6 18 70 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027018E79160, 16 bytes long.
Data: <°3æ p > B0 33 E6 18 70 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027018E792F0, 16 bytes long.
Data: < 3æ p > 88 33 E6 18 70 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027018E79610, 16 bytes long.
Data: <`3æ p > 60 33 E6 18 70 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027018E79BB0, 16 bytes long.
Data: <83æ p > 38 33 E6 18 70 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027018E74EE0, 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 0x0000027018E79520, 16 bytes long.
Data: < 3æ p > 10 33 E6 18 70 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027018E63310, 320 bytes long.
Data: < •ç p àNç p > 20 95 E7 18 70 02 00 00 E0 4E E7 18 70 02 00 00
{273} normal block at 0x0000027018E79B10, 16 bytes long.
Data: <@ ç p > 40 A0 E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027018E78F80, 16 bytes long.
Data: <  ç p > 18 A0 E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027018E74A60, 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 0x0000027018E795C0, 16 bytes long.
Data: <ðŸç p > F0 9F E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027018E75060, 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 0x0000027018E79980, 16 bytes long.
Data: <8Ÿç p > 38 9F E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027018E79AC0, 16 bytes long.
Data: < Ÿç p > 10 9F E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027018E79480, 16 bytes long.
Data: <èžç p > E8 9E E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027018E792A0, 16 bytes long.
Data: <Àžç p > C0 9E E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027018E79020, 16 bytes long.
Data: < žç p > 98 9E E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027018E796B0, 16 bytes long.
Data: <pžç p > 70 9E E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027018E79A70, 16 bytes long.
Data: <p0ç p > 70 30 E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027018E73070, 40 bytes long.
Data: <pšç p Ш p > 70 9A E7 18 70 02 00 00 90 D0 A8 1A 70 02 00 00
{259} normal block at 0x0000027018E79A20, 16 bytes long.
Data: <Pžç p > 50 9E E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027018E79660, 16 bytes long.
Data: <(žç p > 28 9E E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027018E74640, 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 0x0000027018E78EE0, 16 bytes long.
Data: < žç p > 00 9E E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027018E79E00, 992 bytes long.
Data: <àŽç p @Fç p > E0 8E E7 18 70 02 00 00 40 46 E7 18 70 02 00 00
{91} normal block at 0x0000027018E74C40, 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 0x0000027018E6E6E0, 16 bytes long.
Data: < /ç p > 90 2F E7 18 70 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000027018E72F90, 40 bytes long.
Data: <àææ p @Lç p > E0 E6 E6 18 70 02 00 00 40 4C E7 18 70 02 00 00
{68} normal block at 0x0000027018E6E5A0, 16 bytes long.
Data: < ê ÷ > 80 EA 07 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027018E6E640, 16 bytes long.
Data: <@é ÷ > 40 E9 07 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027018E6DBA0, 16 bytes long.
Data: <øW ÷ > F8 57 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027018E6E550, 16 bytes long.
Data: <ØW ÷ > D8 57 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027018E6DA10, 16 bytes long.
Data: <P ÷ > 50 04 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027018E6E280, 16 bytes long.
Data: <0 ÷ > 30 04 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027018E6E3C0, 16 bytes long.
Data: <à ÷ > E0 02 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027018E6E140, 16 bytes long.
Data: < ÷ > 10 04 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027018E6E000, 16 bytes long.
Data: <p ÷ > 70 04 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027018E6DFB0, 16 bytes long.
Data: < À ÷ > 18 C0 02 1D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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