Task 38621025
| Name | hif2a_2_A14_A05_r0_3-QUICO_ATM_OpenFF_NAGL_hif2a_2-4-6-RND1989_1 |
| Workunit | 31571867 |
| Created | 19 Apr 2026, 14:57:49 UTC |
| Sent | 19 Apr 2026, 14:58:08 UTC |
| Report deadline | 24 Apr 2026, 14:58:08 UTC |
| Received | 19 Apr 2026, 21:11:18 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 646098 |
| Run time | 1 hours 4 min 56 sec |
| CPU time | 1 hours 2 min 9 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 21,610.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 630.18 MB |
| Peak swap size | 8.08 GB |
| Peak disk usage | 2.87 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>
13:49:24 (31628): wrapper (7.9.26016): starting
13:49:24 (31628): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A05_0.pdb
QB_A14_A05_0.xml
QB_A14_A05.inpcrd
QB_A14_A05_input.yaml
QB_A14_A05.pdb
QB_A14_A05.prmtop
QB_A14_A05_sys.xml
run.bat
run.sh
13:49:25 (31628): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:49:25 (31628): 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.
14:04:40 (17228): wrapper (7.9.26016): starting
14:04:40 (17228): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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: Error downloading array posq: CUDA_ERROR_ILLEGAL_ADDRESS (700)
15:09:34 (17228): C:/Windows/system32/cmd.exe exited; CPU time 3729.453125
15:09:34 (17228): app exit status: 0x16
15:09:34 (17228): 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: 80511810 bytes.
Dumping objects ->
{1827} normal block at 0x000001BA1D6340C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1816} normal block at 0x000001BA1D634280, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1805} normal block at 0x000001BA1D6346E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1794} normal block at 0x000001BA1D6343D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1783} normal block at 0x000001BA1D6342F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1752} normal block at 0x000001BA1D61F880, 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) : {1739} normal block at 0x000001BA1D6365A0, 8 bytes long.
Data: < > 00 00 A3 1D BA 01 00 00
{305} normal block at 0x000001BA1D635970, 8 bytes long.
Data: < lc > 10 6C 63 1D BA 01 00 00
{296} normal block at 0x000001BA1D621ED0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001BA1D636410, 16 bytes long.
Data: < kc > 18 6B 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BA1D6363C0, 16 bytes long.
Data: < jc > F0 6A 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BA1D630D30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001BA1D635CE0, 16 bytes long.
Data: < jc > C8 6A 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BA1D636320, 16 bytes long.
Data: < jc > A0 6A 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BA1D6362D0, 16 bytes long.
Data: <xjc > 78 6A 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BA1D636500, 16 bytes long.
Data: <Pjc > 50 6A 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BA1D634440, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001BA1D635E20, 16 bytes long.
Data: <x a > 78 FD 61 1D BA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BA1D6315D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001BA1D636550, 16 bytes long.
Data: <P a > 50 FD 61 1D BA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BA1D635DD0, 16 bytes long.
Data: <( a > 28 FD 61 1D BA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BA1D6364B0, 16 bytes long.
Data: < a > 00 FD 61 1D BA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BA1D635B50, 16 bytes long.
Data: < a > D8 FC 61 1D BA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BA1D635AB0, 16 bytes long.
Data: < a > B0 FC 61 1D BA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BA1D635F60, 16 bytes long.
Data: < a > 88 FC 61 1D BA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BA1D631330, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001BA1D636230, 16 bytes long.
Data: <` a > 60 FC 61 1D BA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BA1D61FC60, 320 bytes long.
Data: <0bc 0 c > 30 62 63 1D BA 01 00 00 30 13 63 1D BA 01 00 00
{275} normal block at 0x000001BA1D636140, 16 bytes long.
Data: <0jc > 30 6A 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BA1D635BA0, 16 bytes long.
Data: < jc > 08 6A 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BA1D630C70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001BA1D635A10, 16 bytes long.
Data: < ic > E0 69 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BA1D6319F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001BA1D6360F0, 16 bytes long.
Data: <(ic > 28 69 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BA1D636730, 16 bytes long.
Data: < ic > 00 69 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BA1D635C90, 16 bytes long.
Data: < hc > D8 68 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BA1D636780, 16 bytes long.
Data: < hc > B0 68 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BA1D636000, 16 bytes long.
Data: < hc > 88 68 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BA1D6359C0, 16 bytes long.
Data: <`hc > 60 68 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BA1D636280, 16 bytes long.
Data: <pFc > 70 46 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BA1D634670, 40 bytes long.
Data: < bc a > 80 62 63 1D BA 01 00 00 80 F8 61 1D BA 01 00 00
{261} normal block at 0x000001BA1D6361E0, 16 bytes long.
Data: <@hc > 40 68 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BA1D6358D0, 16 bytes long.
Data: < hc > 18 68 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BA1D631090, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001BA1D635BF0, 16 bytes long.
Data: < gc > F0 67 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BA1D6367F0, 992 bytes long.
Data: < [c c > F0 5B 63 1D BA 01 00 00 90 10 63 1D BA 01 00 00
{93} normal block at 0x000001BA1D631870, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001BA1D62D3E0, 16 bytes long.
Data: <P@c > 50 40 63 1D BA 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001BA1D634050, 40 bytes long.
Data: < b p c > E0 D3 62 1D BA 01 00 00 70 18 63 1D BA 01 00 00
{70} normal block at 0x000001BA1D62D390, 16 bytes long.
Data: < 8 > 80 EA 08 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BA1D62E010, 16 bytes long.
Data: <@ 8 > 40 E9 08 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BA1D62D7F0, 16 bytes long.
Data: < W 8 > F8 57 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BA1D62D340, 16 bytes long.
Data: < W 8 > D8 57 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BA1D62D610, 16 bytes long.
Data: <P 8 > 50 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BA1D62E100, 16 bytes long.
Data: <0 8 > 30 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BA1D62DCA0, 16 bytes long.
Data: < 8 > E0 02 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BA1D62D5C0, 16 bytes long.
Data: < 8 > 10 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BA1D62D8E0, 16 bytes long.
Data: <p 8 > 70 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BA1D62DFC0, 16 bytes long.
Data: < 8 > 18 C0 03 38 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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