Task 38683162
| Name | test_295-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6850_0 |
| Workunit | 31624740 |
| Created | 27 Oct 2026, 10:44:11 UTC |
| Sent | 27 Oct 2026, 10:44:21 UTC |
| Report deadline | 1 Nov 2026, 10:44:21 UTC |
| Received | 27 Oct 2026, 11:23:51 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 606178 |
| Run time | 21 min 7 sec |
| CPU time | 19 min 56 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 680.99 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:45:33 (33660): wrapper (7.9.26016): starting
11:45:33 (33660): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
11:45:34 (33660): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:45:34 (33660): 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\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 'C:\ProgramData\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x00000199053AEF30, 8 bytes long.
Data: < > 00 00 9E 05 99 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001990548E5A0, 1080 bytes long.
Data: < n @ > B4 6E 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000199053B00D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:02:59 (35160): wrapper (7.9.26016): starting
12:02:59 (35160): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\1\tmp existe d‚j….
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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 212, in _update_replica
pot = job['openmm_worker'].get_energy()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
return self._worker_getenergy()
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
state = self.simulation.context.getState(getEnergy = True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Particle coordinate is NaN. For more information, see https://github.com/openmm/openmm/wiki/Frequently-Asked-Questions#nan
12:22:00 (35160): C:/Windows/system32/cmd.exe exited; CPU time 1148.859375
12:22:00 (35160): app exit status: 0x16
12:22:00 (35160): 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: 24627336 bytes.
Dumping objects ->
{1604} normal block at 0x000001E813BD58C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1593} normal block at 0x000001E813BD5770, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000001E813BD5E70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1571} normal block at 0x000001E813BD5A80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x000001E813BD5850, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1529} normal block at 0x000001E813BC04E0, 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) : {1516} normal block at 0x000001E813BD7D20, 8 bytes long.
Data: < > 00 00 BA 13 E8 01 00 00
{309} normal block at 0x000001E813BD7A00, 8 bytes long.
Data: < > A0 87 BD 13 E8 01 00 00
{300} normal block at 0x000001E813BC7C50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001E813BD81D0, 16 bytes long.
Data: < > A8 86 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E813BD7C80, 16 bytes long.
Data: < > 80 86 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E813BD1BE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001E813BD7A50, 16 bytes long.
Data: <X > 58 86 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E813BD8180, 16 bytes long.
Data: <0 > 30 86 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E813BD7F00, 16 bytes long.
Data: < > 08 86 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E813BD7820, 16 bytes long.
Data: < > E0 85 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E813BD5B60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001E813BD8270, 16 bytes long.
Data: < > A8 A7 BC 13 E8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E813BD26C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001E813BD7C30, 16 bytes long.
Data: < > 80 A7 BC 13 E8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E813BD7EB0, 16 bytes long.
Data: <X > 58 A7 BC 13 E8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E813BD7730, 16 bytes long.
Data: <0 > 30 A7 BC 13 E8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E813BD80E0, 16 bytes long.
Data: < > 08 A7 BC 13 E8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E813BD75A0, 16 bytes long.
Data: < > E0 A6 BC 13 E8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E813BD7640, 16 bytes long.
Data: < > B8 A6 BC 13 E8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E813BD21E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001E813BD7960, 16 bytes long.
Data: < > 90 A6 BC 13 E8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E813BCA690, 320 bytes long.
Data: <`y ! > 60 79 BD 13 E8 01 00 00 E0 21 BD 13 E8 01 00 00
{279} normal block at 0x000001E813BD79B0, 16 bytes long.
Data: < > C0 85 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E813BD7BE0, 16 bytes long.
Data: < > 98 85 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E813BD1DC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001E813BD7B40, 16 bytes long.
Data: <p > 70 85 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E813BD1D60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001E813BD7AF0, 16 bytes long.
Data: < > B8 84 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E813BD8090, 16 bytes long.
Data: < > 90 84 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E813BD7B90, 16 bytes long.
Data: <h > 68 84 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E813BD7690, 16 bytes long.
Data: <@ > 40 84 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E813BD8130, 16 bytes long.
Data: < > 18 84 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E813BD76E0, 16 bytes long.
Data: < > F0 83 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E813BD7CD0, 16 bytes long.
Data: < ] > 90 5D BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E813BD5D90, 40 bytes long.
Data: < | > D0 7C BD 13 E8 01 00 00 E0 04 BC 13 E8 01 00 00
{265} normal block at 0x000001E813BD7550, 16 bytes long.
Data: < > D0 83 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E813BD75F0, 16 bytes long.
Data: < > A8 83 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E813BD20C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001E813BD7E60, 16 bytes long.
Data: < > 80 83 BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E813BD8380, 992 bytes long.
Data: <`~ > 60 7E BD 13 E8 01 00 00 C0 20 BD 13 E8 01 00 00
{97} normal block at 0x000001E813BD1D00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001E813BCFAB0, 16 bytes long.
Data: < ^ > 00 5E BD 13 E8 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001E813BD5E00, 40 bytes long.
Data: < > B0 FA BC 13 E8 01 00 00 00 1D BD 13 E8 01 00 00
{74} normal block at 0x000001E813BCFBF0, 16 bytes long.
Data: < > 80 EA FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E813BCFF60, 16 bytes long.
Data: <@ > 40 E9 FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E813BD0190, 16 bytes long.
Data: < W > F8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E813BCFF10, 16 bytes long.
Data: < W > D8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E813BCF240, 16 bytes long.
Data: <P > 50 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E813BCFA60, 16 bytes long.
Data: <0 > 30 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E813BCF470, 16 bytes long.
Data: < > E0 02 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E813BCF600, 16 bytes long.
Data: < > 10 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E813BCF5B0, 16 bytes long.
Data: <p > 70 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E813BCF8D0, 16 bytes long.
Data: < > 18 C0 F9 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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