Task 38639309
| Name | cdk8_A22_A26_r0_1-QUICO_ATM_OpenFF23_NAGL_cdk8-5-6-RND7423_1 |
| Workunit | 31586324 |
| Created | 30 Apr 2026, 17:29:12 UTC |
| Sent | 30 Apr 2026, 17:29:23 UTC |
| Report deadline | 5 May 2026, 17:29:23 UTC |
| Received | 1 May 2026, 8:30:52 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 575758 |
| Run time | 1 hours 3 min 39 sec |
| CPU time | 45 min 39 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,070.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.10 MB |
| Peak swap size | 5.52 GB |
| Peak disk usage | 4.11 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:23:19 (25380): wrapper (7.9.26016): starting
09:23:19 (25380): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A22_A26_0.pdb
QB_A22_A26_0.xml
QB_A22_A26.inpcrd
QB_A22_A26_input.yaml
QB_A22_A26.pdb
QB_A22_A26.prmtop
QB_A22_A26_sys.xml
run.bat
run.sh
09:23:31 (25380): Library/usr/bin/tar.exe exited; CPU time 1.625000
09:23:31 (25380): 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\10\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\10\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\10\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\10\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\10\Lib\site-packages\atom_openmm\ommworker.py", line 469, in get_posvel
self.velocities = state.getVelocities(asNumpy=True).value_in_unit(nanometers/picoseconds)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\openmm\openmm.py", line 18642, in getVelocities
self._velocitiesNumpy = numpy.empty([self._getNumParticles(), 3], numpy.float64)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
numpy.core._exceptions._ArrayMemoryError: Unable to allocate 1.93 MiB for an array with shape (84252, 3) and data type float64
10:28:12 (25380): C:/Windows/system32/cmd.exe exited; CPU time 2738.140625
10:28:12 (25380): app exit status: 0x16
10:28:12 (25380): 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: 65993897 bytes.
Dumping objects ->
{3835453} normal block at 0x000002A9E2088FC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835442} normal block at 0x000002A9E2089730, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835431} normal block at 0x000002A9E20893B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835420} normal block at 0x000002A9E2089880, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835409} normal block at 0x000002A9E2089CE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835378} normal block at 0x000002A9E3C86DA0, 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) : {3835365} normal block at 0x000002A9E205D7B0, 8 bytes long.
Data: < â© > 00 00 01 E2 A9 02 00 00
{3833975} normal block at 0x000002A9E205E0C0, 8 bytes long.
Data: <0Ý â© > 30 DD 04 E2 A9 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000002A9E20513E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002A9E2052340, 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 0x000002A9E2066070, 16 bytes long.
Data: < m â© > 18 6D 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002A9E2066660, 16 bytes long.
Data: <ðl â© > F0 6C 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002A9E205F910, 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 0x000002A9E2065CB0, 16 bytes long.
Data: <Èl â© > C8 6C 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002A9E2065A30, 16 bytes long.
Data: < l â© > A0 6C 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002A9E2065FD0, 16 bytes long.
Data: <xl â© > 78 6C 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002A9E2066430, 16 bytes long.
Data: <Pl â© > 50 6C 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A9E20616C0, 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 0x000002A9E2066980, 16 bytes long.
Data: <X â© > 58 03 05 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002A9E2060210, 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 0x000002A9E20664D0, 16 bytes long.
Data: <0 â© > 30 03 05 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002A9E20662F0, 16 bytes long.
Data: < â© > 08 03 05 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A9E2066930, 16 bytes long.
Data: <à â© > E0 02 05 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A9E20663E0, 16 bytes long.
Data: <¸ â© > B8 02 05 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A9E2065BC0, 16 bytes long.
Data: < â© > 90 02 05 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A9E2065F30, 16 bytes long.
Data: <h â© > 68 02 05 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A9E2060150, 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 0x000002A9E2065EE0, 16 bytes long.
Data: <@ â© > 40 02 05 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A9E2050240, 320 bytes long.
Data: <à^ â© P â© > E0 5E 06 E2 A9 02 00 00 50 01 06 E2 A9 02 00 00
{283} normal block at 0x000002A9E2066840, 16 bytes long.
Data: <0l â© > 30 6C 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A9E2065C10, 16 bytes long.
Data: < l â© > 08 6C 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A9E205FDF0, 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 0x000002A9E2066340, 16 bytes long.
Data: <àk â© > E0 6B 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A9E2060330, 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 0x000002A9E20667A0, 16 bytes long.
Data: <(k â© > 28 6B 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A9E2066700, 16 bytes long.
Data: < k â© > 00 6B 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A9E2065F80, 16 bytes long.
Data: <Øj â© > D8 6A 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A9E20662A0, 16 bytes long.
Data: <°j â© > B0 6A 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A9E2065B70, 16 bytes long.
Data: < j â© > 88 6A 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A9E2065E90, 16 bytes long.
Data: <`j â© > 60 6A 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A9E2066480, 16 bytes long.
Data: <ð â© > F0 11 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A9E20611F0, 40 bytes long.
Data: < d â©  mÈã© > 80 64 06 E2 A9 02 00 00 A0 6D C8 E3 A9 02 00 00
{269} normal block at 0x000002A9E2065C60, 16 bytes long.
Data: <@j â© > 40 6A 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A9E2065DF0, 16 bytes long.
Data: < j â© > 18 6A 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A9E205FE50, 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 0x000002A9E20668E0, 16 bytes long.
Data: <ði â© > F0 69 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A9E20669F0, 992 bytes long.
Data: <àh â© Pþ â© > E0 68 06 E2 A9 02 00 00 50 FE 05 E2 A9 02 00 00
{101} normal block at 0x000002A9E205F730, 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 0x000002A9E205D530, 16 bytes long.
Data: < â© > 80 11 06 E2 A9 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000002A9E2061180, 40 bytes long.
Data: <0Õ â© 0÷ â© > 30 D5 05 E2 A9 02 00 00 30 F7 05 E2 A9 02 00 00
{78} normal block at 0x000002A9E205D8A0, 16 bytes long.
Data: < êo”ö > 80 EA 6F 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002A9E205E2A0, 16 bytes long.
Data: <@éo”ö > 40 E9 6F 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002A9E205DDA0, 16 bytes long.
Data: <øWl”ö > F8 57 6C 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002A9E205D6C0, 16 bytes long.
Data: <ØWl”ö > D8 57 6C 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002A9E205DE40, 16 bytes long.
Data: <P l”ö > 50 04 6C 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002A9E205D490, 16 bytes long.
Data: <0 l”ö > 30 04 6C 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002A9E205D620, 16 bytes long.
Data: <à l”ö > E0 02 6C 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002A9E205D760, 16 bytes long.
Data: < l”ö > 10 04 6C 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002A9E205D8F0, 16 bytes long.
Data: <p l”ö > 70 04 6C 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A9E205DC60, 16 bytes long.
Data: < Àj”ö > 18 C0 6A 94 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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