Task 38630925
| Name | MCL1_RE_A06_A28_r0_2-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-2-6-RND6487_0 |
| Workunit | 31580110 |
| Created | 25 Apr 2026, 17:39:39 UTC |
| Sent | 25 Apr 2026, 17:40:02 UTC |
| Report deadline | 30 Apr 2026, 17:40:02 UTC |
| Received | 25 Apr 2026, 17:59:28 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 160246 |
| Run time | 2 min 9 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 4,380.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 61.81 MB |
| Peak swap size | 1.17 GB |
| Peak disk usage | 1.44 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
N�o � poss�vel executar o sistema operativo em (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:52:59 (19652): wrapper (7.9.26016): starting
18:52:59 (19652): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A28_0.pdb
QB_A06_A28_0.xml
QB_A06_A28.inpcrd
QB_A06_A28_input.yaml
QB_A06_A28.pdb
QB_A06_A28.prmtop
QB_A06_A28_sys.xml
run.bat
run.sh
18:53:15 (19652): Library/usr/bin/tar.exe exited; CPU time 0.062500
18:53:15 (19652): 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 'G:\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 'G:\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 "G:\BOINC\slots\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "G:\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "G:\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "G:\BOINC\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "G:\BOINC\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "G:\BOINC\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "G:\BOINC\slots\2\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "G:\BOINC\slots\2\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "G:\BOINC\slots\2\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "G:\BOINC\slots\2\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
18:53:49 (19652): C:/Windows/system32/cmd.exe exited; CPU time 1.921875
18:53:49 (19652): app exit status: 0x16
18:53:49 (19652): called boinc_finish(195)
0 bytes in 0 Free Blocks.
346 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: 750594 bytes.
Dumping objects ->
{3835228} normal block at 0x000001C8A7985560, 48 bytes long.
Data: <PATH=G:\BOINC\sl> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835217} normal block at 0x000001C8A95F1200, 32 bytes long.
Data: <HOME=G:\BOINC\sl> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835206} normal block at 0x000001C8A95F1080, 32 bytes long.
Data: <TMP=G:\BOINC\slo> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835195} normal block at 0x000001C8A95F1260, 32 bytes long.
Data: <TEMP=G:\BOINC\sl> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835184} normal block at 0x000001C8A95F1920, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{3835153} normal block at 0x000001C8A7985480, 48 bytes long.
Data: <PATH=G:\BOINC\sl> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835142} normal block at 0x000001C8A95BDAC0, 85 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) : {3835139} normal block at 0x000001C8A797D090, 8 bytes long.
Data: < ”§È > 00 00 94 A7 C8 01 00 00
{3834537} normal block at 0x000001C8A95BC260, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001C8A797D590, 8 bytes long.
Data: <Ð/`©È > D0 2F 60 A9 C8 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C8A796FE20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C8A79721F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001C8A7985B70, 16 bytes long.
Data: <Xi §È > 58 69 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C8A7985B20, 16 bytes long.
Data: <0i §È > 30 69 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C8A7980DF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001C8A79861B0, 16 bytes long.
Data: < i §È > 08 69 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C8A7986480, 16 bytes long.
Data: <àh §È > E0 68 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C8A7986340, 16 bytes long.
Data: <¸h §È > B8 68 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C8A7985E90, 16 bytes long.
Data: < h §È > 90 68 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C8A7985090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001C8A7985A80, 16 bytes long.
Data: < å–§È > 88 E5 96 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C8A79814B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001C8A79859E0, 16 bytes long.
Data: <`å–§È > 60 E5 96 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C8A7985990, 16 bytes long.
Data: <8å–§È > 38 E5 96 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C8A79862A0, 16 bytes long.
Data: < å–§È > 10 E5 96 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C8A7985940, 16 bytes long.
Data: <èä–§È > E8 E4 96 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C8A79858F0, 16 bytes long.
Data: <Àä–§È > C0 E4 96 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C8A79858A0, 16 bytes long.
Data: < ä–§È > 98 E4 96 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C8A7981390, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001C8A7985800, 16 bytes long.
Data: <pä–§È > 70 E4 96 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C8A796E470, 320 bytes long.
Data: < X §È §È > 00 58 98 A7 C8 01 00 00 90 13 98 A7 C8 01 00 00
{276} normal block at 0x000001C8A7985E40, 16 bytes long.
Data: <ph §È > 70 68 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C8A7985C60, 16 bytes long.
Data: <Hh §È > 48 68 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C8A7980B50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001C8A7985850, 16 bytes long.
Data: < h §È > 20 68 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C8A7981330, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001C8A79862F0, 16 bytes long.
Data: <hg §È > 68 67 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C8A79857B0, 16 bytes long.
Data: <@g §È > 40 67 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C8A7986390, 16 bytes long.
Data: < g §È > 18 67 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C8A7985760, 16 bytes long.
Data: <ðf §È > F0 66 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C8A7986250, 16 bytes long.
Data: <Èf §È > C8 66 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C8A7985AD0, 16 bytes long.
Data: < f §È > A0 66 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C8A7985F80, 16 bytes long.
Data: <PR §È > 50 52 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C8A7985250, 40 bytes long.
Data: < _ §È T §È > 80 5F 98 A7 C8 01 00 00 80 54 98 A7 C8 01 00 00
{262} normal block at 0x000001C8A7985DA0, 16 bytes long.
Data: < f §È > 80 66 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C8A7985710, 16 bytes long.
Data: <Xf §È > 58 66 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C8A79812D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001C8A7985670, 16 bytes long.
Data: <0f §È > 30 66 98 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C8A7986630, 992 bytes long.
Data: <pV §È Ð §È > 70 56 98 A7 C8 01 00 00 D0 12 98 A7 C8 01 00 00
{94} normal block at 0x000001C8A79813F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001C8A797D6D0, 16 bytes long.
Data: <Ð×–§È > D0 D7 96 A7 C8 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001C8A796D7D0, 40 bytes long.
Data: <ÐÖ—§È ð §È > D0 D6 97 A7 C8 01 00 00 F0 13 98 A7 C8 01 00 00
{71} normal block at 0x000001C8A797D4F0, 16 bytes long.
Data: < ê õ÷ > 80 EA 0C F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C8A797DCC0, 16 bytes long.
Data: <@é õ÷ > 40 E9 0C F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C8A797D4A0, 16 bytes long.
Data: <øW õ÷ > F8 57 09 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C8A797D2C0, 16 bytes long.
Data: <ØW õ÷ > D8 57 09 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C8A797CF50, 16 bytes long.
Data: <P õ÷ > 50 04 09 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C8A797DC20, 16 bytes long.
Data: <0 õ÷ > 30 04 09 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C8A797D0E0, 16 bytes long.
Data: <à õ÷ > E0 02 09 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C8A797D270, 16 bytes long.
Data: < õ÷ > 10 04 09 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C8A797DBD0, 16 bytes long.
Data: <p õ÷ > 70 04 09 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C8A797D8B0, 16 bytes long.
Data: < À õ÷ > 18 C0 07 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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