Task 38632897
| Name | MCL1_RE_A29_A26_r0_3-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-5-6-RND9657_0 |
| Workunit | 31581735 |
| Created | 26 Apr 2026, 18:19:52 UTC |
| Sent | 26 Apr 2026, 18:19:56 UTC |
| Report deadline | 1 May 2026, 18:19:56 UTC |
| Received | 26 Apr 2026, 22:40:45 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 604231 |
| Run time | 1 hours 13 min 5 sec |
| CPU time | 1 hours 13 min 5 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 82,585.64 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 498.23 MB |
| Peak swap size | 12.82 GB |
| Peak disk usage | 3.89 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>
16:21:06 (10176): wrapper (7.9.26016): starting
16:21:06 (10176): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A26_0.pdb
QB_A29_A26_0.xml
QB_A29_A26.inpcrd
QB_A29_A26_input.yaml
QB_A29_A26.pdb
QB_A29_A26.prmtop
QB_A29_A26_sys.xml
run.bat
run.sh
16:21:07 (10176): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:21:07 (10176): 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 'M:\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 'M:\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 "M:\BOINC\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "M:\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "M:\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "M:\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "M:\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "M:\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 "M:\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "M:\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)
17:36:07 (10176): C:/Windows/system32/cmd.exe exited; CPU time 4391.765625
17:36:07 (10176): app exit status: 0x16
17:36:07 (10176): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 bytes in 8 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: 76108929 bytes.
Dumping objects ->
{3835625} normal block at 0x000002D314BB5200, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835614} normal block at 0x000002D3168F2450, 32 bytes long.
Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835603} normal block at 0x000002D3168F18B0, 32 bytes long.
Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835592} normal block at 0x000002D3168F2330, 32 bytes long.
Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835581} normal block at 0x000002D3168F2270, 32 bytes long.
Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C
{3835550} normal block at 0x000002D314BB4F60, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835539} normal block at 0x000002D314C19FF0, 140 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) : {3835536} normal block at 0x000002D314BAD4D0, 8 bytes long.
Data: < µ Ó > 00 00 B5 14 D3 02 00 00
{3834736} normal block at 0x000002D314C19CB0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000002D314BAD980, 8 bytes long.
Data: <ðع Ó > F0 D8 B9 14 D3 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002D314BA15C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002D314BA2930, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000002D314BB6440, 16 bytes long.
Data: <Hk» Ó > 48 6B BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002D314BB60D0, 16 bytes long.
Data: < k» Ó > 20 6B BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002D314BAF710, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000002D314BB6620, 16 bytes long.
Data: <øj» Ó > F8 6A BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002D314BB5C20, 16 bytes long.
Data: <Ðj» Ó > D0 6A BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D314BB6530, 16 bytes long.
Data: <¨j» Ó > A8 6A BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D314BB5BD0, 16 bytes long.
Data: < j» Ó > 80 6A BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002D314BB4C50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000002D314BB59F0, 16 bytes long.
Data: < º Ó > 18 00 BA 14 D3 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D314BAFA70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000002D314BB5EA0, 16 bytes long.
Data: <ðÿ¹ Ó > F0 FF B9 14 D3 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D314BB63A0, 16 bytes long.
Data: <Èÿ¹ Ó > C8 FF B9 14 D3 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D314BB6350, 16 bytes long.
Data: < ÿ¹ Ó > A0 FF B9 14 D3 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D314BB66C0, 16 bytes long.
Data: <xÿ¹ Ó > 78 FF B9 14 D3 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D314BB6260, 16 bytes long.
Data: <Pÿ¹ Ó > 50 FF B9 14 D3 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D314BB6080, 16 bytes long.
Data: <(ÿ¹ Ó > 28 FF B9 14 D3 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D314BAF6B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000002D314BB5E50, 16 bytes long.
Data: < ÿ¹ Ó > 00 FF B9 14 D3 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D314B9FF00, 320 bytes long.
Data: <P^» Ó °öº Ó > 50 5E BB 14 D3 02 00 00 B0 F6 BA 14 D3 02 00 00
{278} normal block at 0x000002D314BB67B0, 16 bytes long.
Data: <`j» Ó > 60 6A BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D314BB6210, 16 bytes long.
Data: <8j» Ó > 38 6A BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002D314BB0190, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000002D314BB62B0, 16 bytes long.
Data: < j» Ó > 10 6A BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002D314BB0430, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000002D314BB5D60, 16 bytes long.
Data: <Xi» Ó > 58 69 BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D314BB59A0, 16 bytes long.
Data: <0i» Ó > 30 69 BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002D314BB5A90, 16 bytes long.
Data: < i» Ó > 08 69 BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D314BB63F0, 16 bytes long.
Data: <àh» Ó > E0 68 BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D314BB65D0, 16 bytes long.
Data: <¸h» Ó > B8 68 BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D314BB6580, 16 bytes long.
Data: < h» Ó > 90 68 BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D314BB5D10, 16 bytes long.
Data: <ÐO» Ó > D0 4F BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D314BB4FD0, 40 bytes long.
Data: < ]» Ó `O» Ó > 10 5D BB 14 D3 02 00 00 60 4F BB 14 D3 02 00 00
{264} normal block at 0x000002D314BB5B80, 16 bytes long.
Data: <ph» Ó > 70 68 BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D314BB61C0, 16 bytes long.
Data: <Hh» Ó > 48 68 BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D314BB0250, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000002D314BB5E00, 16 bytes long.
Data: < h» Ó > 20 68 BB 14 D3 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002D314BB6820, 992 bytes long.
Data: < ^» Ó P » Ó > 00 5E BB 14 D3 02 00 00 50 02 BB 14 D3 02 00 00
{96} normal block at 0x000002D314BAF770, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000002D314BAD2F0, 16 bytes long.
Data: < æ¹ Ó > 80 E6 B9 14 D3 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002D314B9E680, 40 bytes long.
Data: <ðÒº Ó p÷º Ó > F0 D2 BA 14 D3 02 00 00 70 F7 BA 14 D3 02 00 00
{73} normal block at 0x000002D314BAE010, 16 bytes long.
Data: < êÍ`÷ > 80 EA CD 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002D314BAD3E0, 16 bytes long.
Data: <@éÍ`÷ > 40 E9 CD 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002D314BAD660, 16 bytes long.
Data: <øWÊ`÷ > F8 57 CA 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002D314BAD480, 16 bytes long.
Data: <ØWÊ`÷ > D8 57 CA 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002D314BADF70, 16 bytes long.
Data: <P Ê`÷ > 50 04 CA 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D314BADB60, 16 bytes long.
Data: <0 Ê`÷ > 30 04 CA 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D314BAD7F0, 16 bytes long.
Data: <à Ê`÷ > E0 02 CA 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D314BADE30, 16 bytes long.
Data: < Ê`÷ > 10 04 CA 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D314BADB10, 16 bytes long.
Data: <p Ê`÷ > 70 04 CA 60 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D314BAD570, 16 bytes long.
Data: < ÀÈ`÷ > 18 C0 C8 60 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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