Task 38608788
| Name | CDK2_A14_A11_r0_3-QUICO_ATM_GAFF2_NAGL_CDK2-1-6-RND1339_0 |
| Workunit | 31561999 |
| Created | 14 Apr 2026, 18:33:39 UTC |
| Sent | 14 Apr 2026, 18:33:43 UTC |
| Report deadline | 19 Apr 2026, 18:33:43 UTC |
| Received | 15 Apr 2026, 18:42:44 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 615648 |
| Run time | 3 hours 37 min 45 sec |
| CPU time | 3 hours 28 min 15 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,153.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 775.72 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 3.13 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:33:52 (45572): wrapper (7.9.26016): starting
09:33:52 (45572): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A11_0.pdb
QB_A14_A11_0.xml
QB_A14_A11.inpcrd
QB_A14_A11_input.yaml
QB_A14_A11.pdb
QB_A14_A11.prmtop
QB_A14_A11_sys.xml
run.bat
run.sh
09:33:53 (45572): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:33:53 (45572): 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.
16:33:18 (24860): wrapper (7.9.26016): starting
16:33:18 (24860): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo C:\ProgramData\BOINC\slots\0\tmp.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1533} normal block at 0x00000237C8337750, 8 bytes long.
Data: < . 7 > 00 00 2E C8 37 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000237C8338220, 1080 bytes long.
Data: < ` > A4 60 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
20:27:10 (45016): wrapper (7.9.26016): starting
20:27:10 (45016): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo C:\ProgramData\BOINC\slots\0\tmp.
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_UNKNOWN (999)
20:36:43 (45016): C:/Windows/system32/cmd.exe exited; CPU time 540.437500
20:36:43 (45016): app exit status: 0x16
20:36:43 (45016): 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: 11315602 bytes.
Dumping objects ->
{1622} normal block at 0x00000241880095F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1611} normal block at 0x0000024188009580, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1600} normal block at 0x0000024188009510, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1589} normal block at 0x00000241880093C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1578} normal block at 0x0000024188009350, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1547} normal block at 0x0000024187FFC930, 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) : {1534} normal block at 0x000002418800F310, 8 bytes long.
Data: < f A > 00 00 66 88 41 02 00 00
{306} normal block at 0x000002418800EA00, 8 bytes long.
Data: <` A > 60 FB 00 88 41 02 00 00
{297} normal block at 0x0000024187FF8D40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002418800EFF0, 16 bytes long.
Data: <h A > 68 FA 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002418800EFA0, 16 bytes long.
Data: <@ A > 40 FA 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002418800AFC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002418800E820, 16 bytes long.
Data: < A > 18 FA 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002418800EF50, 16 bytes long.
Data: < A > F0 F9 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002418800EB90, 16 bytes long.
Data: < A > C8 F9 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002418800F4A0, 16 bytes long.
Data: < A > A0 F9 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000241880097B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002418800F450, 16 bytes long.
Data: < A > A8 B5 FF 87 41 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002418800ACC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002418800EC30, 16 bytes long.
Data: < A > 80 B5 FF 87 41 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002418800F590, 16 bytes long.
Data: <X A > 58 B5 FF 87 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002418800F220, 16 bytes long.
Data: <0 A > 30 B5 FF 87 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002418800F0E0, 16 bytes long.
Data: < A > 08 B5 FF 87 41 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002418800EAF0, 16 bytes long.
Data: < A > E0 B4 FF 87 41 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002418800ED70, 16 bytes long.
Data: < A > B8 B4 FF 87 41 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002418800B7A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002418800F5E0, 16 bytes long.
Data: < A > 90 B4 FF 87 41 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024187FFB490, 320 bytes long.
Data: < A A > E0 F5 00 88 41 02 00 00 A0 B7 00 88 41 02 00 00
{276} normal block at 0x000002418800EAA0, 16 bytes long.
Data: < A > 80 F9 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002418800EF00, 16 bytes long.
Data: <X A > 58 F9 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002418800AE40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002418800F400, 16 bytes long.
Data: <0 A > 30 F9 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002418800B920, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002418800F3B0, 16 bytes long.
Data: <x A > 78 F8 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002418800EEB0, 16 bytes long.
Data: <P A > 50 F8 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002418800EE60, 16 bytes long.
Data: <( A > 28 F8 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002418800F1D0, 16 bytes long.
Data: < A > 00 F8 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002418800F130, 16 bytes long.
Data: < A > D8 F7 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002418800F360, 16 bytes long.
Data: < A > B0 F7 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002418800F180, 16 bytes long.
Data: < A > E0 99 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000241880099E0, 40 bytes long.
Data: < A 0 A > 80 F1 00 88 41 02 00 00 30 C9 FF 87 41 02 00 00
{262} normal block at 0x000002418800EE10, 16 bytes long.
Data: < A > 90 F7 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002418800F680, 16 bytes long.
Data: <h A > 68 F7 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002418800AF60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002418800EC80, 16 bytes long.
Data: <@ A > 40 F7 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002418800F740, 992 bytes long.
Data: < A ` A > 80 EC 00 88 41 02 00 00 60 AF 00 88 41 02 00 00
{94} normal block at 0x000002418800BB00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000024187FFC6C0, 16 bytes long.
Data: <0 A > 30 94 00 88 41 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000024188009430, 40 bytes long.
Data: < A A > C0 C6 FF 87 41 02 00 00 00 BB 00 88 41 02 00 00
{71} normal block at 0x0000024187FFC670, 16 bytes long.
Data: < 7 > 80 EA CE 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024187FFC620, 16 bytes long.
Data: <@ 7 > 40 E9 CE 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024187FFC5D0, 16 bytes long.
Data: < W 7 > F8 57 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024187FFC490, 16 bytes long.
Data: < W 7 > D8 57 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024187FFBEA0, 16 bytes long.
Data: <P 7 > 50 04 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024187FFB950, 16 bytes long.
Data: <0 7 > 30 04 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024187FFC350, 16 bytes long.
Data: < 7 > E0 02 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024187FFC0D0, 16 bytes long.
Data: < 7 > 10 04 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024187FFB810, 16 bytes long.
Data: <p 7 > 70 04 CB 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024187FFB900, 16 bytes long.
Data: < 7 > 18 C0 C9 37 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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