Task 38640150
| Name | p38_3_A05_A33_r0_4-QUICO_ATM_OpenFF_NAGL_p38_3-5-6-RND0414_0 |
| Workunit | 31587572 |
| Created | 1 May 2026, 8:38:07 UTC |
| Sent | 1 May 2026, 8:38:11 UTC |
| Report deadline | 6 May 2026, 8:38:11 UTC |
| Received | 2 May 2026, 8:44:07 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 648207 |
| Run time | 5 hours 3 min 40 sec |
| CPU time | 5 hours 0 min 24 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 19,476.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 784.00 MB |
| Peak swap size | 6.78 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:39:26 (64496): wrapper (7.9.26016): starting
11:39:26 (64496): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A33_0.pdb
QB_A05_A33_0.xml
QB_A05_A33.inpcrd
QB_A05_A33_input.yaml
QB_A05_A33.pdb
QB_A05_A33.prmtop
QB_A05_A33_sys.xml
run.bat
run.sh
11:39:27 (64496): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:39:27 (64496): 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\6\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\6\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.
16:07:17 (29124): wrapper (7.9.26016): starting
16:07:17 (29124): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1558} normal block at 0x000002BAF37D69E0, 8 bytes long.
Data: < & > 00 00 26 F5 BA 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000002BAF37D75A0, 1080 bytes long.
Data: < ( > 20 28 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:40:59 (27236): wrapper (7.9.26016): starting
18:40:59 (27236): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
22:47:22 (19704): wrapper (7.9.26016): starting
22:47:22 (19704): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1559} normal block at 0x000001F667E96C20, 8 bytes long.
Data: < g > 00 00 E6 67 F6 01 00 00
..\lib\diagnostics_win.cpp(417) : {312} normal block at 0x000001F667E97880, 1080 bytes long.
Data: <4 \ > 34 7F 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
07:43:31 (46012): wrapper (7.9.26016): starting
07:43:31 (46012): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
08:48:32 (31452): wrapper (7.9.26016): starting
08:48:32 (31452): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
11:33:15 (29212): wrapper (7.9.26016): starting
11:33:15 (29212): 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\6\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\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\6\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\6\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\6\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_UNKNOWN (999)
11:42:41 (29212): C:/Windows/system32/cmd.exe exited; CPU time 533.671875
11:42:41 (29212): app exit status: 0x16
11:42:41 (29212): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 12210052 bytes.
Dumping objects ->
{1648} normal block at 0x0000016E8FCE5AC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1637} normal block at 0x0000016E8FCE5C10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1626} normal block at 0x0000016E8FCE5D60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1615} normal block at 0x0000016E8FCE59E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1604} normal block at 0x0000016E8FCE6000, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1573} normal block at 0x0000016E8FCCF690, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1562} normal block at 0x0000016E8FCE10B0, 102 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) : {1559} normal block at 0x0000016E8FCE73C0, 8 bytes long.
Data: < n > 00 00 CA 8F 6E 01 00 00
{927} normal block at 0x0000016E8FCCFEC0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{313} normal block at 0x0000016E8FCE6790, 8 bytes long.
Data: < x n > F0 78 CE 8F 6E 01 00 00
{304} normal block at 0x0000016E8FCD68F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x0000016E8FCE6600, 16 bytes long.
Data: < w n > F8 77 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000016E8FCE7320, 16 bytes long.
Data: < w n > D0 77 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000016E8FCDED50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x0000016E8FCE7140, 16 bytes long.
Data: < w n > A8 77 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000016E8FCE6E70, 16 bytes long.
Data: < w n > 80 77 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000016E8FCE65B0, 16 bytes long.
Data: <Xw n > 58 77 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000016E8FCE6740, 16 bytes long.
Data: <0w n > 30 77 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000016E8FCE5F90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x0000016E8FCE6AB0, 16 bytes long.
Data: < n > C8 9A CD 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016E8FCDEC30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x0000016E8FCE6C40, 16 bytes long.
Data: < n > A0 9A CD 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016E8FCE6BA0, 16 bytes long.
Data: <x n > 78 9A CD 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016E8FCE6CE0, 16 bytes long.
Data: <P n > 50 9A CD 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016E8FCE68D0, 16 bytes long.
Data: <( n > 28 9A CD 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016E8FCE71E0, 16 bytes long.
Data: < n > 00 9A CD 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016E8FCE6B50, 16 bytes long.
Data: < n > D8 99 CD 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016E8FCDEF30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x0000016E8FCE6A60, 16 bytes long.
Data: < n > B0 99 CD 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016E8FCD99B0, 320 bytes long.
Data: <`j n 0 n > 60 6A CE 8F 6E 01 00 00 30 EF CD 8F 6E 01 00 00
{283} normal block at 0x0000016E8FCE6880, 16 bytes long.
Data: < w n > 10 77 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016E8FCE6970, 16 bytes long.
Data: < v n > E8 76 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016E8FCDF530, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x0000016E8FCE6B00, 16 bytes long.
Data: < v n > C0 76 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016E8FCDFB30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x0000016E8FCE66A0, 16 bytes long.
Data: < v n > 08 76 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016E8FCE7370, 16 bytes long.
Data: < u n > E0 75 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016E8FCE6560, 16 bytes long.
Data: < u n > B8 75 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016E8FCE72D0, 16 bytes long.
Data: < u n > 90 75 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016E8FCE6510, 16 bytes long.
Data: <hu n > 68 75 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016E8FCE6DD0, 16 bytes long.
Data: <@u n > 40 75 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016E8FCE6D30, 16 bytes long.
Data: < [ n > A0 5B CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016E8FCE5BA0, 40 bytes long.
Data: <0m n n > 30 6D CE 8F 6E 01 00 00 90 F6 CC 8F 6E 01 00 00
{269} normal block at 0x0000016E8FCE6C90, 16 bytes long.
Data: < u n > 20 75 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016E8FCE7460, 16 bytes long.
Data: < t n > F8 74 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016E8FCDF710, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x0000016E8FCE6D80, 16 bytes long.
Data: < t n > D0 74 CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016E8FCE74D0, 992 bytes long.
Data: < m n n > 80 6D CE 8F 6E 01 00 00 10 F7 CD 8F 6E 01 00 00
{101} normal block at 0x0000016E8FCDEE70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x0000016E8FCDADF0, 16 bytes long.
Data: < _ n > 20 5F CE 8F 6E 01 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x0000016E8FCE5F20, 40 bytes long.
Data: < n p n > F0 AD CD 8F 6E 01 00 00 70 EE CD 8F 6E 01 00 00
{78} normal block at 0x0000016E8FCDB250, 16 bytes long.
Data: < ; > 80 EA 01 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000016E8FCDADA0, 16 bytes long.
Data: <@ ; > 40 E9 01 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000016E8FCDB7A0, 16 bytes long.
Data: < W : > F8 57 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000016E8FCDB0C0, 16 bytes long.
Data: < W : > D8 57 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000016E8FCDB750, 16 bytes long.
Data: <P : > 50 04 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000016E8FCDB700, 16 bytes long.
Data: <0 : > 30 04 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000016E8FCDB980, 16 bytes long.
Data: < : > E0 02 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000016E8FCDB110, 16 bytes long.
Data: < : > 10 04 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000016E8FCDB5C0, 16 bytes long.
Data: <p : > 70 04 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000016E8FCDB890, 16 bytes long.
Data: < : > 18 C0 FC 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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