Task 38617295
| Name | hif2a_2_A32_A13_r0_4-QUICO_ATM_OpenFF_NAGL_hif2a_2-2-6-RND7449_1 |
| Workunit | 31568971 |
| Created | 18 Apr 2026, 3:11:12 UTC |
| Sent | 18 Apr 2026, 3:11:29 UTC |
| Report deadline | 23 Apr 2026, 3:11:29 UTC |
| Received | 18 Apr 2026, 6:32:39 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 646098 |
| Run time | 6 min 58 sec |
| CPU time | 4 min 19 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 | 653.21 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>
00:25:56 (37204): wrapper (7.9.26016): starting
00:25:56 (37204): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A13_0.pdb
QB_A32_A13_0.xml
QB_A32_A13.inpcrd
QB_A32_A13_input.yaml
QB_A32_A13.pdb
QB_A32_A13.prmtop
QB_A32_A13_sys.xml
run.bat
run.sh
00:25:57 (37204): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:25:57 (37204): 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: Error downloading array posq: CUDA_ERROR_ILLEGAL_ADDRESS (700)
00:30:52 (37204): C:/Windows/system32/cmd.exe exited; CPU time 259.390625
00:30:52 (37204): app exit status: 0x16
00:30:52 (37204): 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: 6380553 bytes.
Dumping objects ->
{3835481} normal block at 0x0000022E97367690, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835470} normal block at 0x0000022E97367850, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835459} normal block at 0x0000022E97368030, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835448} normal block at 0x0000022E97367930, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835437} normal block at 0x0000022E97367AF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835406} normal block at 0x0000022E954B9190, 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) : {3835393} normal block at 0x0000022E9548D0E0, 8 bytes long.
Data: < A•. > 00 00 41 95 2E 02 00 00
{3833959} normal block at 0x0000022E9548D680, 8 bytes long.
Data: <PœK•. > 50 9C 4B 95 2E 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000022E95481570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022E9547E8B0, 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 0x0000022E95495630, 16 bytes long.
Data: <èaI•. > E8 61 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022E95495DB0, 16 bytes long.
Data: <ÀaI•. > C0 61 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022E95491010, 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 0x0000022E95495810, 16 bytes long.
Data: < aI•. > 98 61 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022E954957C0, 16 bytes long.
Data: <paI•. > 70 61 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022E95495590, 16 bytes long.
Data: <HaI•. > 48 61 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022E95495130, 16 bytes long.
Data: < aI•. > 20 61 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022E954938D0, 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 0x0000022E95495E00, 16 bytes long.
Data: <h¸G•. > 68 B8 47 95 2E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022E95491190, 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 0x0000022E95495AE0, 16 bytes long.
Data: <@¸G•. > 40 B8 47 95 2E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022E95495400, 16 bytes long.
Data: < ¸G•. > 18 B8 47 95 2E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022E954953B0, 16 bytes long.
Data: <ð·G•. > F0 B7 47 95 2E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022E954956D0, 16 bytes long.
Data: <È·G•. > C8 B7 47 95 2E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022E95495D60, 16 bytes long.
Data: < ·G•. > A0 B7 47 95 2E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022E95495D10, 16 bytes long.
Data: <x·G•. > 78 B7 47 95 2E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022E95491250, 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 0x0000022E95495CC0, 16 bytes long.
Data: <P·G•. > 50 B7 47 95 2E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022E9547B750, 320 bytes long.
Data: <À\I•. P I•. > C0 5C 49 95 2E 02 00 00 50 12 49 95 2E 02 00 00
{275} normal block at 0x0000022E95494F50, 16 bytes long.
Data: < aI•. > 00 61 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022E954955E0, 16 bytes long.
Data: <Ø`I•. > D8 60 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022E95490DD0, 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 0x0000022E95495540, 16 bytes long.
Data: <°`I•. > B0 60 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022E954912B0, 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 0x0000022E954954F0, 16 bytes long.
Data: <ø_I•. > F8 5F 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022E95495860, 16 bytes long.
Data: <Ð_I•. > D0 5F 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022E95495C70, 16 bytes long.
Data: <¨_I•. > A8 5F 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022E95495A90, 16 bytes long.
Data: < _I•. > 80 5F 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022E954952C0, 16 bytes long.
Data: <X_I•. > 58 5F 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022E954959A0, 16 bytes long.
Data: <0_I•. > 30 5F 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022E95495090, 16 bytes long.
Data: <`8I•. > 60 38 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022E95493860, 40 bytes long.
Data: < PI•. ‘K•. > 90 50 49 95 2E 02 00 00 90 91 4B 95 2E 02 00 00
{261} normal block at 0x0000022E95495C20, 16 bytes long.
Data: < _I•. > 10 5F 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022E95495BD0, 16 bytes long.
Data: <è^I•. > E8 5E 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022E95490FB0, 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 0x0000022E95495680, 16 bytes long.
Data: <À^I•. > C0 5E 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000022E95495EC0, 992 bytes long.
Data: < VI•. ° I•. > 80 56 49 95 2E 02 00 00 B0 0F 49 95 2E 02 00 00
{93} normal block at 0x0000022E95490830, 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 0x0000022E9548D130, 16 bytes long.
Data: < 7I•. > 80 37 49 95 2E 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000022E95493780, 40 bytes long.
Data: <0ÑH•. 0 I•. > 30 D1 48 95 2E 02 00 00 30 08 49 95 2E 02 00 00
{70} normal block at 0x0000022E9548DD10, 16 bytes long.
Data: < ê ï÷ > 80 EA 8F EF F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022E9548D7C0, 16 bytes long.
Data: <@é ï÷ > 40 E9 8F EF F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022E9548DC70, 16 bytes long.
Data: <øWŒï÷ > F8 57 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022E9548D630, 16 bytes long.
Data: <ØWŒï÷ > D8 57 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022E9548DCC0, 16 bytes long.
Data: <P Œï÷ > 50 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022E9548D860, 16 bytes long.
Data: <0 Œï÷ > 30 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022E9548D770, 16 bytes long.
Data: <à Œï÷ > E0 02 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022E9548D310, 16 bytes long.
Data: < Œï÷ > 10 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022E9548D450, 16 bytes long.
Data: <p Œï÷ > 70 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022E9548D5E0, 16 bytes long.
Data: < ÀŠï÷ > 18 C0 8A EF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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