Task 38615426
| Name | p38_2_A18_A08_r0_2-QUICO_ATM_OpenFF_NAGL_p38_2-0-6-RND4917_0 |
| Workunit | 31567727 |
| Created | 17 Apr 2026, 16:49:58 UTC |
| Sent | 17 Apr 2026, 17:09:30 UTC |
| Report deadline | 22 Apr 2026, 17:09:30 UTC |
| Received | 17 Apr 2026, 21:52:29 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 636680 |
| Run time | 4 hours 30 min 11 sec |
| CPU time | 4 hours 25 min 11 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,972.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 592.73 MB |
| Peak swap size | 8.23 GB |
| Peak disk usage | 3.00 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:19:16 (31836): wrapper (7.9.26016): starting
19:19:16 (31836): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A08_0.pdb
QB_A18_A08_0.xml
QB_A18_A08.inpcrd
QB_A18_A08_input.yaml
QB_A18_A08.pdb
QB_A18_A08.prmtop
QB_A18_A08_sys.xml
run.bat
run.sh
19:19:20 (31836): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:19:20 (31836): 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 'F:\Boinc\slots\2\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 'F:\Boinc\slots\2\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 "F:\Boinc\slots\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "F:\Boinc\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "F:\Boinc\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "F:\Boinc\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "F:\Boinc\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\Boinc\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\Boinc\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\Boinc\slots\2\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
23:50:30 (31836): C:/Windows/system32/cmd.exe exited; CPU time 15911.687500
23:50:30 (31836): app exit status: 0x16
23:50:30 (31836): called boinc_finish(195)
0 bytes in 0 Free Blocks.
380 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: 328732037 bytes.
Dumping objects ->
{3835287} normal block at 0x0000024DA63F54D0, 48 bytes long.
Data: <PATH=F:\Boinc\sl> 50 41 54 48 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835276} normal block at 0x0000024DA80E0EA0, 32 bytes long.
Data: <HOME=F:\Boinc\sl> 48 4F 4D 45 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835265} normal block at 0x0000024DA80E09C0, 32 bytes long.
Data: <TMP=F:\Boinc\slo> 54 4D 50 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{3835254} normal block at 0x0000024DA80E10E0, 32 bytes long.
Data: <TEMP=F:\Boinc\sl> 54 45 4D 50 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835243} normal block at 0x0000024DA80DFF40, 32 bytes long.
Data: <TMPDIR=F:\Boinc\> 54 4D 50 44 49 52 3D 46 3A 5C 42 6F 69 6E 63 5C
{3835212} normal block at 0x0000024DA63F5460, 48 bytes long.
Data: <PATH=F:\Boinc\sl> 50 41 54 48 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835201} normal block at 0x0000024DA80AF040, 102 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) : {3835198} normal block at 0x0000024DA63EE200, 8 bytes long.
Data: < :¦M > 00 00 3A A6 4D 02 00 00
{3834572} normal block at 0x0000024DA80AFCA0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000024DA63ED940, 8 bytes long.
Data: <°L?¦M > B0 4C 3F A6 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000024DA63E0D70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024DA63E2B90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000024DA63F6B30, 16 bytes long.
Data: < q?¦M > 98 71 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024DA63F5EB0, 16 bytes long.
Data: <pq?¦M > 70 71 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024DA63EFE10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000024DA63F6180, 16 bytes long.
Data: <Hq?¦M > 48 71 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024DA63F6AE0, 16 bytes long.
Data: < q?¦M > 20 71 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024DA63F6D10, 16 bytes long.
Data: <øp?¦M > F8 70 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024DA63F6130, 16 bytes long.
Data: <Ðp?¦M > D0 70 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024DA63F5380, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000024DA63F6A90, 16 bytes long.
Data: <8 >¦M > 38 0C 3E A6 4D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024DA63EFB70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000024DA63F60E0, 16 bytes long.
Data: < >¦M > 10 0C 3E A6 4D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024DA63F6310, 16 bytes long.
Data: <è >¦M > E8 0B 3E A6 4D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024DA63F6950, 16 bytes long.
Data: <À >¦M > C0 0B 3E A6 4D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024DA63F65E0, 16 bytes long.
Data: < >¦M > 98 0B 3E A6 4D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024DA63F6810, 16 bytes long.
Data: <p >¦M > 70 0B 3E A6 4D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024DA63F6720, 16 bytes long.
Data: <H >¦M > 48 0B 3E A6 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024DA63F08F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000024DA63F5FF0, 16 bytes long.
Data: < >¦M > 20 0B 3E A6 4D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024DA63E0B20, 320 bytes long.
Data: <ð_?¦M ð ?¦M > F0 5F 3F A6 4D 02 00 00 F0 08 3F A6 4D 02 00 00
{278} normal block at 0x0000024DA63F6D60, 16 bytes long.
Data: <°p?¦M > B0 70 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024DA63F6C70, 16 bytes long.
Data: < p?¦M > 88 70 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024DA63EFCF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000024DA63F6540, 16 bytes long.
Data: <`p?¦M > 60 70 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024DA63F0410, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000024DA63F6450, 16 bytes long.
Data: <¨o?¦M > A8 6F 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024DA63F6400, 16 bytes long.
Data: < o?¦M > 80 6F 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024DA63F6630, 16 bytes long.
Data: <Xo?¦M > 58 6F 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024DA63F64A0, 16 bytes long.
Data: <0o?¦M > 30 6F 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024DA63F6E00, 16 bytes long.
Data: < o?¦M > 08 6F 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024DA63F6B80, 16 bytes long.
Data: <àn?¦M > E0 6E 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024DA63F66D0, 16 bytes long.
Data: <àW?¦M > E0 57 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024DA63F57E0, 40 bytes long.
Data: <Ðf?¦M `T?¦M > D0 66 3F A6 4D 02 00 00 60 54 3F A6 4D 02 00 00
{264} normal block at 0x0000024DA63F6CC0, 16 bytes long.
Data: <Àn?¦M > C0 6E 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024DA63F67C0, 16 bytes long.
Data: < n?¦M > 98 6E 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024DA63F0950, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000024DA63F6900, 16 bytes long.
Data: <pn?¦M > 70 6E 3F A6 4D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024DA63F6E70, 992 bytes long.
Data: < i?¦M P ?¦M > 00 69 3F A6 4D 02 00 00 50 09 3F A6 4D 02 00 00
{96} normal block at 0x0000024DA63EFFF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000024DA63EDD00, 16 bytes long.
Data: <°ö=¦M > B0 F6 3D A6 4D 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000024DA63DF6B0, 40 bytes long.
Data: < Ý>¦M ðÿ>¦M > 00 DD 3E A6 4D 02 00 00 F0 FF 3E A6 4D 02 00 00
{73} normal block at 0x0000024DA63ED990, 16 bytes long.
Data: < êÄ£ö > 80 EA C4 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024DA63EE2F0, 16 bytes long.
Data: <@éÄ£ö > 40 E9 C4 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024DA63ED8F0, 16 bytes long.
Data: <øWÁ£ö > F8 57 C1 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024DA63EE3E0, 16 bytes long.
Data: <ØWÁ£ö > D8 57 C1 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024DA63EDB70, 16 bytes long.
Data: <P 磚 > 50 04 C1 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024DA63EE160, 16 bytes long.
Data: <0 磚 > 30 04 C1 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024DA63EDC10, 16 bytes long.
Data: <à Á£ö > E0 02 C1 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024DA63ED7B0, 16 bytes long.
Data: < 磚 > 10 04 C1 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024DA63ED760, 16 bytes long.
Data: <p 磚 > 70 04 C1 A3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024DA63EDB20, 16 bytes long.
Data: < À¿£ö > 18 C0 BF A3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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