Task 38639436
| Name | cdk8_A05_A23_r0_2-QUICO_ATM_GAFF2_NAGL_cdk8-5-6-RND2645_0 |
| Workunit | 31587003 |
| Created | 30 Apr 2026, 19:30:25 UTC |
| Sent | 30 Apr 2026, 19:30:32 UTC |
| Report deadline | 5 May 2026, 19:30:32 UTC |
| Received | 1 May 2026, 9:08:54 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 575758 |
| Run time | 31 min 37 sec |
| CPU time | 21 min 53 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 | 671.89 MB |
| Peak swap size | 5.51 GB |
| Peak disk usage | 3.19 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>
10:35:26 (26696): wrapper (7.9.26016): starting
10:35:26 (26696): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A23_0.pdb
QB_A05_A23_0.xml
QB_A05_A23.inpcrd
QB_A05_A23_input.yaml
QB_A05_A23.pdb
QB_A05_A23.prmtop
QB_A05_A23_sys.xml
run.bat
run.sh
10:35:38 (26696): Library/usr/bin/tar.exe exited; CPU time 1.468750
10:35:38 (26696): 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 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
11:05:55 (26696): C:/Windows/system32/cmd.exe exited; CPU time 1311.765625
11:05:55 (26696): app exit status: 0x16
11:05:55 (26696): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 39308557 bytes.
Dumping objects ->
{3835453} normal block at 0x0000029B8AB790A0, 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 0x0000029B8AB79AB0, 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 0x0000029B8AB79B20, 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 0x0000029B8AB78FC0, 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 0x0000029B8AB79C00, 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 0x0000029B8C864B20, 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 0x0000029B8AB4DF80, 8 bytes long.
Data: < °Š› > 00 00 B0 8A 9B 02 00 00
{3833975} normal block at 0x0000029B8AB4DE40, 8 bytes long.
Data: <0ݳŠ› > 30 DD B3 8A 9B 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000029B8AB41660, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000029B8AB42A90, 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 0x0000029B8AB55F30, 16 bytes long.
Data: < mµŠ› > 18 6D B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000029B8AB56390, 16 bytes long.
Data: <ðlµŠ› > F0 6C B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000029B8AB4F850, 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 0x0000029B8AB567F0, 16 bytes long.
Data: <ÈlµŠ› > C8 6C B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000029B8AB56110, 16 bytes long.
Data: < lµŠ› > A0 6C B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000029B8AB567A0, 16 bytes long.
Data: <xlµŠ› > 78 6C B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029B8AB55D50, 16 bytes long.
Data: <PlµŠ› > 50 6C B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029B8AB51260, 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 0x0000029B8AB562A0, 16 bytes long.
Data: <X ´Š› > 58 03 B4 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029B8AB50510, 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 0x0000029B8AB56700, 16 bytes long.
Data: <0 ´Š› > 30 03 B4 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029B8AB55EE0, 16 bytes long.
Data: < ´Š› > 08 03 B4 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029B8AB55A80, 16 bytes long.
Data: <à ´Š› > E0 02 B4 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029B8AB55CB0, 16 bytes long.
Data: <¸ ´Š› > B8 02 B4 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029B8AB55DF0, 16 bytes long.
Data: < ´Š› > 90 02 B4 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029B8AB564D0, 16 bytes long.
Data: <h ´Š› > 68 02 B4 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029B8AB4F7F0, 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 0x0000029B8AB55F80, 16 bytes long.
Data: <@ ´Š› > 40 02 B4 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029B8AB40240, 320 bytes long.
Data: < _µŠ› ð÷´Š› > 80 5F B5 8A 9B 02 00 00 F0 F7 B4 8A 9B 02 00 00
{283} normal block at 0x0000029B8AB56200, 16 bytes long.
Data: <0lµŠ› > 30 6C B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029B8AB55E90, 16 bytes long.
Data: < lµŠ› > 08 6C B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029B8AB501B0, 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 0x0000029B8AB55A30, 16 bytes long.
Data: <àkµŠ› > E0 6B B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029B8AB4F730, 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 0x0000029B8AB55B20, 16 bytes long.
Data: <(kµŠ› > 28 6B B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029B8AB565C0, 16 bytes long.
Data: < kµŠ› > 00 6B B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029B8AB568E0, 16 bytes long.
Data: <ØjµŠ› > D8 6A B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029B8AB55C60, 16 bytes long.
Data: <°jµŠ› > B0 6A B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029B8AB563E0, 16 bytes long.
Data: < jµŠ› > 88 6A B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029B8AB56930, 16 bytes long.
Data: <`jµŠ› > 60 6A B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029B8AB55E40, 16 bytes long.
Data: < µŠ› > 80 11 B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029B8AB51180, 40 bytes long.
Data: <@^µŠ› K†Œ› > 40 5E B5 8A 9B 02 00 00 20 4B 86 8C 9B 02 00 00
{269} normal block at 0x0000029B8AB56070, 16 bytes long.
Data: <@jµŠ› > 40 6A B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029B8AB55B70, 16 bytes long.
Data: < jµŠ› > 18 6A B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029B8AB50630, 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 0x0000029B8AB55DA0, 16 bytes long.
Data: <ðiµŠ› > F0 69 B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029B8AB569F0, 992 bytes long.
Data: < ]µŠ› 0 µŠ› > A0 5D B5 8A 9B 02 00 00 30 06 B5 8A 9B 02 00 00
{101} normal block at 0x0000029B8AB4F790, 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 0x0000029B8AB4D5D0, 16 bytes long.
Data: <À µŠ› > C0 16 B5 8A 9B 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x0000029B8AB516C0, 40 bytes long.
Data: <ÐÕ´Š› ÷´Š› > D0 D5 B4 8A 9B 02 00 00 90 F7 B4 8A 9B 02 00 00
{78} normal block at 0x0000029B8AB4D580, 16 bytes long.
Data: < êu,ö > 80 EA 75 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000029B8AB4DDA0, 16 bytes long.
Data: <@éu,ö > 40 E9 75 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000029B8AB4D990, 16 bytes long.
Data: <øWr,ö > F8 57 72 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000029B8AB4E250, 16 bytes long.
Data: <ØWr,ö > D8 57 72 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000029B8AB4DD50, 16 bytes long.
Data: <P r,ö > 50 04 72 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000029B8AB4DFD0, 16 bytes long.
Data: <0 r,ö > 30 04 72 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000029B8AB4E2A0, 16 bytes long.
Data: <à r,ö > E0 02 72 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029B8AB4D8A0, 16 bytes long.
Data: < r,ö > 10 04 72 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029B8AB4E020, 16 bytes long.
Data: <p r,ö > 70 04 72 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029B8AB4E200, 16 bytes long.
Data: < Àp,ö > 18 C0 70 2C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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