Task 38613745
| Name | CDK2_A10_A01_r0_1-QUICO_ATM_OpenFF_CDK2-1-6-RND9975_0 |
| Workunit | 31566176 |
| Created | 17 Apr 2026, 1:04:58 UTC |
| Sent | 17 Apr 2026, 1:05:02 UTC |
| Report deadline | 22 Apr 2026, 1:05:02 UTC |
| Received | 17 Apr 2026, 1:11:17 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652091 |
| Run time | 4 min 18 sec |
| CPU time | 1 min 36 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,457.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.54 MB |
| Peak swap size | 5.29 GB |
| Peak disk usage | 2.09 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>
02:07:20 (4132): wrapper (7.9.26016): starting
02:07:20 (4132): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A01_0.pdb
QB_A10_A01_0.xml
QB_A10_A01.inpcrd
QB_A10_A01_input.yaml
QB_A10_A01.pdb
QB_A10_A01.prmtop
QB_A10_A01_sys.xml
run.bat
run.sh
02:07:23 (4132): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:07:23 (4132): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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\1\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\1\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_ILLEGAL_ADDRESS (700)
02:09:40 (4132): C:/Windows/system32/cmd.exe exited; CPU time 96.234375
02:09:40 (4132): app exit status: 0x16
02:09:40 (4132): 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: 1943691 bytes.
Dumping objects ->
{3835183} normal block at 0x000001FFC6890F40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x000001FFC68914F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835161} normal block at 0x000001FFC6890C30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835150} normal block at 0x000001FFC6890A70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835139} normal block at 0x000001FFC6891020, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835108} normal block at 0x000001FFC693F370, 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) : {3835095} normal block at 0x000001FFC4DFB1F0, 8 bytes long.
Data: < ÚÄÿ > 00 00 DA C4 FF 01 00 00
{3833953} normal block at 0x000001FFC4DFBB00, 8 bytes long.
Data: <pÀ¢Æÿ > 70 C0 A2 C6 FF 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001FFC4E04FB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FFC4DEB670, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001FFC4E06550, 16 bytes long.
Data: <8wàÄÿ > 38 77 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FFC4E06DC0, 16 bytes long.
Data: < wàÄÿ > 10 77 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FFC4E025D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001FFC4E06500, 16 bytes long.
Data: <èvàÄÿ > E8 76 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FFC4E06FA0, 16 bytes long.
Data: <ÀvàÄÿ > C0 76 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FFC4E06EB0, 16 bytes long.
Data: < vàÄÿ > 98 76 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FFC4E06AF0, 16 bytes long.
Data: <pvàÄÿ > 70 76 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FFC4E01840, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001FFC4E061E0, 16 bytes long.
Data: <x ᎘ > 78 02 DF C4 FF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FFC4E028D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001FFC4E064B0, 16 bytes long.
Data: <P ᎘ > 50 02 DF C4 FF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FFC4E06410, 16 bytes long.
Data: <( ᎘ > 28 02 DF C4 FF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FFC4E069B0, 16 bytes long.
Data: < ᎘ > 00 02 DF C4 FF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FFC4E06640, 16 bytes long.
Data: <Ø ßÄÿ > D8 01 DF C4 FF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FFC4E06F50, 16 bytes long.
Data: <° ßÄÿ > B0 01 DF C4 FF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FFC4E06D70, 16 bytes long.
Data: < ᎘ > 88 01 DF C4 FF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FFC4E022D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001FFC4E06960, 16 bytes long.
Data: <` ᎘ > 60 01 DF C4 FF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FFC4DF0160, 320 bytes long.
Data: <`iàÄÿ Ð"àÄÿ > 60 69 E0 C4 FF 01 00 00 D0 22 E0 C4 FF 01 00 00
{272} normal block at 0x000001FFC4E06910, 16 bytes long.
Data: <PvàÄÿ > 50 76 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FFC4E068C0, 16 bytes long.
Data: <(vàÄÿ > 28 76 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FFC4E02AB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001FFC4E065F0, 16 bytes long.
Data: < vàÄÿ > 00 76 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FFC4E020F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001FFC4E06D20, 16 bytes long.
Data: <HuàÄÿ > 48 75 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FFC4E06460, 16 bytes long.
Data: < uàÄÿ > 20 75 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FFC4E06190, 16 bytes long.
Data: <øtàÄÿ > F8 74 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FFC4E06050, 16 bytes long.
Data: <ÐtàÄÿ > D0 74 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FFC4E06870, 16 bytes long.
Data: <¨tàÄÿ > A8 74 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FFC4E063C0, 16 bytes long.
Data: < tàÄÿ > 80 74 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FFC4E06BE0, 16 bytes long.
Data: <` àÄÿ > 60 17 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FFC4E01760, 40 bytes long.
Data: <àkàÄÿ pó“Æÿ > E0 6B E0 C4 FF 01 00 00 70 F3 93 C6 FF 01 00 00
{258} normal block at 0x000001FFC4E06320, 16 bytes long.
Data: <`tàÄÿ > 60 74 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FFC4E06140, 16 bytes long.
Data: <8tàÄÿ > 38 74 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FFC4E02870, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001FFC4E062D0, 16 bytes long.
Data: < tàÄÿ > 10 74 E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001FFC4E07410, 992 bytes long.
Data: <ÐbàÄÿ p(àÄÿ > D0 62 E0 C4 FF 01 00 00 70 28 E0 C4 FF 01 00 00
{90} normal block at 0x000001FFC4E02C90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001FFC4DFB920, 16 bytes long.
Data: < àÄÿ > 10 1D E0 C4 FF 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001FFC4E01D10, 40 bytes long.
Data: < ¹ßÄÿ ,àÄÿ > 20 B9 DF C4 FF 01 00 00 90 2C E0 C4 FF 01 00 00
{67} normal block at 0x000001FFC4DFBCE0, 16 bytes long.
Data: < êIä÷ > 80 EA 49 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FFC4DFBEC0, 16 bytes long.
Data: <@éIä÷ > 40 E9 49 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FFC4DFB7E0, 16 bytes long.
Data: <øWFä÷ > F8 57 46 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FFC4DFC0A0, 16 bytes long.
Data: <ØWFä÷ > D8 57 46 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FFC4DFC050, 16 bytes long.
Data: <P Fä÷ > 50 04 46 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FFC4DFB560, 16 bytes long.
Data: <0 Fä÷ > 30 04 46 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FFC4DFB6A0, 16 bytes long.
Data: <à Fä÷ > E0 02 46 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FFC4DFC000, 16 bytes long.
Data: < Fä÷ > 10 04 46 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FFC4DFB510, 16 bytes long.
Data: <p Fä÷ > 70 04 46 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FFC4DFB4C0, 16 bytes long.
Data: < ÀDä÷ > 18 C0 44 E4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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