Task 38630870
| Name | cdk8_A19_A09_r0_1-QUICO_ATM_GAFF2_NAGL_cdk8-2-6-RND7677_0 |
| Workunit | 31580063 |
| Created | 25 Apr 2026, 17:07:12 UTC |
| Sent | 25 Apr 2026, 17:07:26 UTC |
| Report deadline | 30 Apr 2026, 17:07:26 UTC |
| Received | 26 Apr 2026, 1:37:08 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 547768 |
| Run time | 7 hours 56 min 40 sec |
| CPU time | 7 hours 56 min 40 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 20,852.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 995.89 MB |
| Peak swap size | 8.85 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run <sporadic_ac>.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:46:44 (1784): wrapper (7.9.26016): starting
10:46:44 (1784): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A09_0.pdb
QB_A19_A09_0.xml
QB_A19_A09.inpcrd
QB_A19_A09_input.yaml
QB_A19_A09.pdb
QB_A19_A09.prmtop
QB_A19_A09_sys.xml
run.bat
run.sh
10:46:52 (1784): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:46:52 (1784): 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\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 'C:\ProgramData\BOINC\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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\0\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\0\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
18:34:55 (1784): C:/Windows/system32/cmd.exe exited; CPU time 28600.281250
18:34:55 (1784): app exit status: 0x16
18:34:55 (1784): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 421366119 bytes.
Dumping objects ->
{3835443} normal block at 0x0000026979CBCB30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835432} normal block at 0x0000026979CBD150, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835421} normal block at 0x0000026979CBD1C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835410} normal block at 0x0000026977F07480, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835399} normal block at 0x0000026977F071E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835368} normal block at 0x0000026979CBB5F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835355} normal block at 0x0000026977EFDBD0, 8 bytes long.
Data: < 0xi > 00 00 30 78 69 02 00 00
{3833963} normal block at 0x0000026977EFE0D0, 8 bytes long.
Data: < Úîwi > A0 DA EE 77 69 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026977EF0430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026977EEF370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000026977F079F0, 16 bytes long.
Data: <ØŒðwi > D8 8C F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026977F07C20, 16 bytes long.
Data: <°Œðwi > B0 8C F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026977EFF6E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000026977F08580, 16 bytes long.
Data: < Œðwi > 88 8C F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026977F08440, 16 bytes long.
Data: <`Œðwi > 60 8C F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026977F083A0, 16 bytes long.
Data: <8Œðwi > 38 8C F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026977F08030, 16 bytes long.
Data: < Œðwi > 10 8C F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026977F07640, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000026977F08350, 16 bytes long.
Data: <X"ïwi > 58 22 EF 77 69 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026977F00580, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000026977F07A40, 16 bytes long.
Data: <0"ïwi > 30 22 EF 77 69 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026977F07BD0, 16 bytes long.
Data: < "ïwi > 08 22 EF 77 69 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026977F07EA0, 16 bytes long.
Data: <à!ïwi > E0 21 EF 77 69 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026977F083F0, 16 bytes long.
Data: <¸!ïwi > B8 21 EF 77 69 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026977F08850, 16 bytes long.
Data: < !ïwi > 90 21 EF 77 69 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026977F087B0, 16 bytes long.
Data: <h!ïwi > 68 21 EF 77 69 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026977EFF8C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000026977F086C0, 16 bytes long.
Data: <@!ïwi > 40 21 EF 77 69 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026977EF2140, 320 bytes long.
Data: <À†ðwi Àøïwi > C0 86 F0 77 69 02 00 00 C0 F8 EF 77 69 02 00 00
{277} normal block at 0x0000026977F08300, 16 bytes long.
Data: <ð‹ðwi > F0 8B F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026977F07D10, 16 bytes long.
Data: <È‹ðwi > C8 8B F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026977F00460, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000026977F07FE0, 16 bytes long.
Data: < ‹ðwi > A0 8B F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026977EFFE60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000026977F082B0, 16 bytes long.
Data: <èŠðwi > E8 8A F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026977F08210, 16 bytes long.
Data: <ÀŠðwi > C0 8A F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026977F08800, 16 bytes long.
Data: < Šðwi > 98 8A F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026977F081C0, 16 bytes long.
Data: <pŠðwi > 70 8A F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026977F085D0, 16 bytes long.
Data: <HŠðwi > 48 8A F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026977F08530, 16 bytes long.
Data: < Šðwi > 20 8A F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026977F07F90, 16 bytes long.
Data: <ðtðwi > F0 74 F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026977F074F0, 40 bytes long.
Data: < ðwi ðµËyi > 90 7F F0 77 69 02 00 00 F0 B5 CB 79 69 02 00 00
{263} normal block at 0x0000026977F07E50, 16 bytes long.
Data: < Šðwi > 00 8A F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026977F08670, 16 bytes long.
Data: <؉ðwi > D8 89 F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026977EFFDA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000026977F08170, 16 bytes long.
Data: <°‰ðwi > B0 89 F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026977F089B0, 992 bytes long.
Data: <p ðwi  ýïwi > 70 81 F0 77 69 02 00 00 A0 FD EF 77 69 02 00 00
{95} normal block at 0x0000026977F00400, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000026977EFE7B0, 16 bytes long.
Data: < wðwi > 20 77 F0 77 69 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000026977F07720, 40 bytes long.
Data: <°çïwi ðwi > B0 E7 EF 77 69 02 00 00 00 04 F0 77 69 02 00 00
{72} normal block at 0x0000026977EFE5D0, 16 bytes long.
Data: < ês*ö > 80 EA 73 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026977EFE760, 16 bytes long.
Data: <@és*ö > 40 E9 73 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026977EFE030, 16 bytes long.
Data: <øWp*ö > F8 57 70 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026977EFD8B0, 16 bytes long.
Data: <ØWp*ö > D8 57 70 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026977EFDF90, 16 bytes long.
Data: <P p*ö > 50 04 70 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026977EFE170, 16 bytes long.
Data: <0 p*ö > 30 04 70 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026977EFE3A0, 16 bytes long.
Data: <à p*ö > E0 02 70 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026977EFE3F0, 16 bytes long.
Data: < p*ö > 10 04 70 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026977EFE710, 16 bytes long.
Data: <p p*ö > 70 04 70 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026977EFE530, 16 bytes long.
Data: < Àn*ö > 18 C0 6E 2A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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