Task 38640393
| Name | cdk8_A20_A26_r0_5-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND3961_7 |
| Workunit | 31577326 |
| Created | 1 May 2026, 13:10:41 UTC |
| Sent | 1 May 2026, 13:10:46 UTC |
| Report deadline | 6 May 2026, 13:10:46 UTC |
| Received | 1 May 2026, 14:43:55 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 590877 |
| Run time | 36 min 2 sec |
| CPU time | 31 min 4 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 13,173.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 836.48 MB |
| Peak swap size | 2.61 GB |
| Peak disk usage | 2.82 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>
17:05:34 (14728): wrapper (7.9.26016): starting
17:05:34 (14728): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A26_0.pdb
QB_A20_A26_0.xml
QB_A20_A26.inpcrd
QB_A20_A26_input.yaml
QB_A20_A26.pdb
QB_A20_A26.prmtop
QB_A20_A26_sys.xml
run.bat
run.sh
17:05:43 (14728): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:05:43 (14728): 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
17:42:17 (14728): C:/Windows/system32/cmd.exe exited; CPU time 1864.265625
17:42:17 (14728): app exit status: 0x16
17:42:17 (14728): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 31511545 bytes.
Dumping objects ->
{3835431} normal block at 0x000001D7295ACB90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835420} normal block at 0x000001D7295AC110, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835409} normal block at 0x000001D7295AC1F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835398} normal block at 0x000001D727B4EE00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835387} normal block at 0x000001D727B4ED90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835356} normal block at 0x000001D7295F5550, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835345} normal block at 0x000001D727B9E190, 141 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) : {3835342} normal block at 0x000001D727B47E40, 8 bytes long.
Data: < ²'× > 00 00 B2 27 D7 01 00 00
{3834621} normal block at 0x000001D727B9E0C0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833940} normal block at 0x000001D727B47DF0, 8 bytes long.
Data: <p&e)× > 70 26 65 29 D7 01 00 00
..\zip\boinc_zip.cpp(122) : {299} normal block at 0x000001D727B51AF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D727B3C600, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{283} normal block at 0x000001D727B52E00, 16 bytes long.
Data: <8Qµ'× > 38 51 B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D727B53350, 16 bytes long.
Data: < Qµ'× > 10 51 B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D727B4D4C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{280} normal block at 0x000001D727B52DB0, 16 bytes long.
Data: <èPµ'× > E8 50 B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D727B53030, 16 bytes long.
Data: <ÀPµ'× > C0 50 B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D727B538A0, 16 bytes long.
Data: < Pµ'× > 98 50 B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D727B53620, 16 bytes long.
Data: <pPµ'× > 70 50 B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D727B4ED20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{275} normal block at 0x000001D727B53580, 16 bytes long.
Data: <Øa³'× > D8 61 B3 27 D7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D727B4D2E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{273} normal block at 0x000001D727B534E0, 16 bytes long.
Data: <°a³'× > B0 61 B3 27 D7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D727B52D10, 16 bytes long.
Data: < a³'× > 88 61 B3 27 D7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D727B52F40, 16 bytes long.
Data: <`a³'× > 60 61 B3 27 D7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D727B53760, 16 bytes long.
Data: <8a³'× > 38 61 B3 27 D7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D727B53120, 16 bytes long.
Data: < a³'× > 10 61 B3 27 D7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D727B53710, 16 bytes long.
Data: <è`³'× > E8 60 B3 27 D7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D727B4D460, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{265} normal block at 0x000001D727B52CC0, 16 bytes long.
Data: <À`³'× > C0 60 B3 27 D7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D727B360C0, 320 bytes long.
Data: <À,µ'× `Ô´'× > C0 2C B5 27 D7 01 00 00 60 D4 B4 27 D7 01 00 00
{263} normal block at 0x000001D727B53260, 16 bytes long.
Data: <PPµ'× > 50 50 B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D727B52C70, 16 bytes long.
Data: <(Pµ'× > 28 50 B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D727B4CA40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{260} normal block at 0x000001D727B531C0, 16 bytes long.
Data: < Pµ'× > 00 50 B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D727B4CDA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{258} normal block at 0x000001D727B52C20, 16 bytes long.
Data: <HOµ'× > 48 4F B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D727B52AE0, 16 bytes long.
Data: < Oµ'× > 20 4F B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D727B53990, 16 bytes long.
Data: <øNµ'× > F8 4E B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001D727B52EF0, 16 bytes long.
Data: <ÐNµ'× > D0 4E B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001D727B53210, 16 bytes long.
Data: <¨Nµ'× > A8 4E B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001D727B53490, 16 bytes long.
Data: < Nµ'× > 80 4E B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001D727B530D0, 16 bytes long.
Data: < ð´'× > A0 F0 B4 27 D7 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001D727B4F0A0, 40 bytes long.
Data: <Ð0µ'× PU_)× > D0 30 B5 27 D7 01 00 00 50 55 5F 29 D7 01 00 00
{249} normal block at 0x000001D727B52D60, 16 bytes long.
Data: <`Nµ'× > 60 4E B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x000001D727B53850, 16 bytes long.
Data: <8Nµ'× > 38 4E B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{247} normal block at 0x000001D727B4C920, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{246} normal block at 0x000001D727B52B80, 16 bytes long.
Data: < Nµ'× > 10 4E B5 27 D7 01 00 00 00 00 00 00 00 00 00 00
{245} normal block at 0x000001D727B54E10, 992 bytes long.
Data: < +µ'× É´'× > 80 2B B5 27 D7 01 00 00 20 C9 B4 27 D7 01 00 00
{81} normal block at 0x000001D727B4C980, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{80} normal block at 0x000001D727B48570, 16 bytes long.
Data: <pî´'× > 70 EE B4 27 D7 01 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001D727B4EE70, 40 bytes long.
Data: <p…´'× É´'× > 70 85 B4 27 D7 01 00 00 80 C9 B4 27 D7 01 00 00
{58} normal block at 0x000001D727B47CB0, 16 bytes long.
Data: < ê îö > 80 EA 90 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D727B482F0, 16 bytes long.
Data: <@é îö > 40 E9 90 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001D727B487A0, 16 bytes long.
Data: <øW îö > F8 57 8D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001D727B47E90, 16 bytes long.
Data: <ØW îö > D8 57 8D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001D727B47C60, 16 bytes long.
Data: <P îö > 50 04 8D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001D727B48750, 16 bytes long.
Data: <0 îö > 30 04 8D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000001D727B48890, 16 bytes long.
Data: <à îö > E0 02 8D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{51} normal block at 0x000001D727B48520, 16 bytes long.
Data: < îö > 10 04 8D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{50} normal block at 0x000001D727B47B20, 16 bytes long.
Data: <p îö > 70 04 8D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{49} normal block at 0x000001D727B48A70, 16 bytes long.
Data: < À‹îö > 18 C0 8B EE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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