Task 38583365
| Name | JNK1_A14_A09_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-2-5-RND6984_0 |
| Workunit | 31547508 |
| Created | 14 Dec 2025, 2:38:54 UTC |
| Sent | 14 Dec 2025, 2:38:56 UTC |
| Report deadline | 19 Dec 2025, 2:38:56 UTC |
| Received | 14 Dec 2025, 6:10:05 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 613630 |
| Run time | 2 hours 40 min 18 sec |
| CPU time | 2 hours 40 min 18 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 53,036.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.18 MB |
| Peak swap size | 7.24 GB |
| Peak disk usage | 3.34 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:07:36 (17372): wrapper (7.9.26016): starting
19:07:36 (17372): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A09_0.pdb
QB_A14_A09_0.xml
QB_A14_A09_equil.pdb
QB_A14_A09.inpcrd
QB_A14_A09_input.yaml
QB_A14_A09_mdlambda.pdb
QB_A14_A09_min.pdb
QB_A14_A09_npt.pdb
QB_A14_A09.pdb
QB_A14_A09.prmtop
QB_A14_A09_sys.xml
QB_A14_A09_therm.pdb
run.bat
run.sh
19:07:38 (17372): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:07:38 (17372): 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_LAUNCH_FAILED (719)
22:08:06 (17372): C:/Windows/system32/cmd.exe exited; CPU time 9627.765625
22:08:06 (17372): app exit status: 0x16
22:08:06 (17372): called boinc_finish(195)
0 bytes in 0 Free Blocks.
726 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: 152981815 bytes.
Dumping objects ->
{3835662} normal block at 0x000002AE7DBBDB50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835651} normal block at 0x000002AE7C0D5020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835640} normal block at 0x000002AE7C0D4F40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835629} normal block at 0x000002AE7C0D4D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835618} normal block at 0x000002AE7C0D4E60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835587} normal block at 0x000002AE7DC08B30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835576} normal block at 0x000002AE7DBB44D0, 235 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) : {3835573} normal block at 0x000002AE7C0CD780, 8 bytes long.
Data: < =|® > 00 00 3D 7C AE 02 00 00
{3834747} normal block at 0x000002AE7DBB4BF0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000002AE7C0CD730, 8 bytes long.
Data: < × |® > A0 D7 0B 7C AE 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002AE7C0C1460, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002AE7C0C1D20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002AE7C0D5A80, 16 bytes long.
Data: <Hj |® > 48 6A 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002AE7C0D5A30, 16 bytes long.
Data: < j |® > 20 6A 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002AE7C0D01F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002AE7C0D5F80, 16 bytes long.
Data: <øi |® > F8 69 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002AE7C0D5D50, 16 bytes long.
Data: <Ði |® > D0 69 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002AE7C0D61B0, 16 bytes long.
Data: <¨i |® > A8 69 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002AE7C0D6610, 16 bytes long.
Data: < i |® > 80 69 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002AE7C0D4990, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002AE7C0D5F30, 16 bytes long.
Data: <è |® > E8 07 0C 7C AE 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002AE7C0CFE30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002AE7C0D5850, 16 bytes long.
Data: <À |® > C0 07 0C 7C AE 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002AE7C0D5E90, 16 bytes long.
Data: < |® > 98 07 0C 7C AE 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002AE7C0D5990, 16 bytes long.
Data: <p |® > 70 07 0C 7C AE 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002AE7C0D65C0, 16 bytes long.
Data: <H |® > 48 07 0C 7C AE 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AE7C0D6070, 16 bytes long.
Data: < |® > 20 07 0C 7C AE 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002AE7C0D5B20, 16 bytes long.
Data: <ø |® > F8 06 0C 7C AE 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002AE7C0CFFB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002AE7C0D60C0, 16 bytes long.
Data: <Ð |® > D0 06 0C 7C AE 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002AE7C0C06D0, 320 bytes long.
Data: <À` |® °ÿ |® > C0 60 0D 7C AE 02 00 00 B0 FF 0C 7C AE 02 00 00
{277} normal block at 0x000002AE7C0D5800, 16 bytes long.
Data: <`i |® > 60 69 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002AE7C0D5E40, 16 bytes long.
Data: <8i |® > 38 69 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002AE7C0CF4D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002AE7C0D62A0, 16 bytes long.
Data: < i |® > 10 69 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002AE7C0CF950, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002AE7C0D6570, 16 bytes long.
Data: <Xh |® > 58 68 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002AE7C0D6660, 16 bytes long.
Data: <0h |® > 30 68 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002AE7C0D6250, 16 bytes long.
Data: < h |® > 08 68 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002AE7C0D6430, 16 bytes long.
Data: <àg |® > E0 67 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002AE7C0D6520, 16 bytes long.
Data: <¸g |® > B8 67 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002AE7C0D64D0, 16 bytes long.
Data: < g |® > 90 67 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002AE7C0D6020, 16 bytes long.
Data: <àJ |® > E0 4A 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002AE7C0D4AE0, 40 bytes long.
Data: < ` |® 0‹À}® > 20 60 0D 7C AE 02 00 00 30 8B C0 7D AE 02 00 00
{263} normal block at 0x000002AE7C0D5EE0, 16 bytes long.
Data: <pg |® > 70 67 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002AE7C0D58F0, 16 bytes long.
Data: <Hg |® > 48 67 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002AE7C0CF590, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002AE7C0D5BC0, 16 bytes long.
Data: < g |® > 20 67 0D 7C AE 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002AE7C0D6720, 992 bytes long.
Data: <À[ |® õ |® > C0 5B 0D 7C AE 02 00 00 90 F5 0C 7C AE 02 00 00
{95} normal block at 0x000002AE7C0CF6B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002AE7C0CE090, 16 bytes long.
Data: < ï |® > 10 EF 0B 7C AE 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002AE7C0BEF10, 40 bytes long.
Data: < à |® °ö |® > 90 E0 0C 7C AE 02 00 00 B0 F6 0C 7C AE 02 00 00
{72} normal block at 0x000002AE7C0CDBE0, 16 bytes long.
Data: < ê ’ö > 80 EA 05 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002AE7C0CDB90, 16 bytes long.
Data: <@é ’ö > 40 E9 05 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002AE7C0CD280, 16 bytes long.
Data: <øW ’ö > F8 57 02 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002AE7C0CDF00, 16 bytes long.
Data: <ØW ’ö > D8 57 02 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002AE7C0CDD70, 16 bytes long.
Data: <P ’ö > 50 04 02 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002AE7C0CDC80, 16 bytes long.
Data: <0 ’ö > 30 04 02 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002AE7C0CD5F0, 16 bytes long.
Data: <à ’ö > E0 02 02 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002AE7C0CD410, 16 bytes long.
Data: < ’ö > 10 04 02 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002AE7C0CDB40, 16 bytes long.
Data: <p ’ö > 70 04 02 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002AE7C0CDAF0, 16 bytes long.
Data: < À ’ö > 18 C0 00 92 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra