Task 38631396
| Name | JNK1_RE_A14_A05_r0_2-QUICO_ATM_GAFF2_NAGL_JNK1_RE-3-6-RND8180_0 |
| Workunit | 31580489 |
| Created | 25 Apr 2026, 22:21:27 UTC |
| Sent | 25 Apr 2026, 22:21:40 UTC |
| Report deadline | 30 Apr 2026, 22:21:40 UTC |
| Received | 25 Apr 2026, 22:26:00 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 631208 |
| Run time | 2 min 5 sec |
| CPU time | 23 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,470.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 417.71 MB |
| Peak swap size | 7.77 GB |
| Peak disk usage | 2.68 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
K�ytt�j�rjestelm� ei voi suorittaa ohjelmaa ����.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
01:24:00 (35392): wrapper (7.9.26016): starting
01:24:00 (35392): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A05_0.pdb
QB_A14_A05_0.xml
QB_A14_A05.inpcrd
QB_A14_A05_input.yaml
QB_A14_A05.pdb
QB_A14_A05.prmtop
QB_A14_A05_sys.xml
run.bat
run.sh
01:24:01 (35392): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:24:01 (35392): 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 'K:\BOINC-Data\slots\0\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 'K:\BOINC-Data\slots\0\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 "K:\BOINC-Data\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "K:\BOINC-Data\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "K:\BOINC-Data\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "K:\BOINC-Data\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "K:\BOINC-Data\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "K:\BOINC-Data\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "K:\BOINC-Data\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "K:\BOINC-Data\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "K:\BOINC-Data\slots\0\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "K:\BOINC-Data\slots\0\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
01:24:53 (35392): C:/Windows/system32/cmd.exe exited; CPU time 23.125000
01:24:53 (35392): app exit status: 0x16
01:24:53 (35392): 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: 1216561 bytes.
Dumping objects ->
{3835306} normal block at 0x000001874479AA00, 48 bytes long.
Data: <PATH=K:\BOINC-Da> 50 41 54 48 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61
{3835295} normal block at 0x0000018746458EF0, 32 bytes long.
Data: <HOME=K:\BOINC-Da> 48 4F 4D 45 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61
{3835284} normal block at 0x0000018746458170, 32 bytes long.
Data: <TMP=K:\BOINC-Dat> 54 4D 50 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61 74
{3835273} normal block at 0x0000018746459310, 32 bytes long.
Data: <TEMP=K:\BOINC-Da> 54 45 4D 50 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61
{3835262} normal block at 0x0000018746458AD0, 32 bytes long.
Data: <TMPDIR=K:\BOINC-> 54 4D 50 44 49 52 3D 4B 3A 5C 42 4F 49 4E 43 2D
{3835231} normal block at 0x000001874479B410, 48 bytes long.
Data: <PATH=K:\BOINC-Da> 50 41 54 48 3D 4B 3A 5C 42 4F 49 4E 43 2D 44 61
{3835220} normal block at 0x0000018746421270, 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) : {3835217} normal block at 0x000001874476AD20, 8 bytes long.
Data: < qD‡ > 00 00 71 44 87 01 00 00
{3834599} normal block at 0x00000187464215E0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833995} normal block at 0x000001874476A6E0, 8 bytes long.
Data: < èuD‡ > 80 E8 75 44 87 01 00 00
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x0000018744763270, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{314} normal block at 0x00000187447603C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{313} normal block at 0x0000018744777FB0, 16 bytes long.
Data: <(…wD‡ > 28 85 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x00000187447778D0, 16 bytes long.
Data: < …wD‡ > 00 85 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x0000018744770C10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{310} normal block at 0x0000018744777A60, 16 bytes long.
Data: <Ø„wD‡ > D8 84 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x0000018744777880, 16 bytes long.
Data: <°„wD‡ > B0 84 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000018744777A10, 16 bytes long.
Data: < „wD‡ > 88 84 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000187447777E0, 16 bytes long.
Data: <`„wD‡ > 60 84 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x00000187447720D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{305} normal block at 0x0000018744777F60, 16 bytes long.
Data: < 8vD‡ > 08 38 76 44 87 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000018744771030, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{303} normal block at 0x0000018744777F10, 16 bytes long.
Data: <à7vD‡ > E0 37 76 44 87 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000018744777830, 16 bytes long.
Data: <¸7vD‡ > B8 37 76 44 87 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000018744777EC0, 16 bytes long.
Data: < 7vD‡ > 90 37 76 44 87 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000018744777600, 16 bytes long.
Data: <h7vD‡ > 68 37 76 44 87 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000187447776F0, 16 bytes long.
Data: <@7vD‡ > 40 37 76 44 87 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018744777DD0, 16 bytes long.
Data: < 7vD‡ > 18 37 76 44 87 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000018744770D90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{295} normal block at 0x00000187447772E0, 16 bytes long.
Data: <ð6vD‡ > F0 36 76 44 87 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000187447636F0, 320 bytes long.
Data: <àrwD‡ wD‡ > E0 72 77 44 87 01 00 00 90 0D 77 44 87 01 00 00
{293} normal block at 0x0000018744777970, 16 bytes long.
Data: <@„wD‡ > 40 84 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018744777CE0, 16 bytes long.
Data: < „wD‡ > 18 84 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018744770CD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{290} normal block at 0x0000018744777E20, 16 bytes long.
Data: <ðƒwD‡ > F0 83 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018744770EB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{288} normal block at 0x0000018744777C40, 16 bytes long.
Data: <8ƒwD‡ > 38 83 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018744777470, 16 bytes long.
Data: < ƒwD‡ > 10 83 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018744777420, 16 bytes long.
Data: <è‚wD‡ > E8 82 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018744777290, 16 bytes long.
Data: <À‚wD‡ > C0 82 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000187447776A0, 16 bytes long.
Data: < ‚wD‡ > 98 82 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018744777D80, 16 bytes long.
Data: <p‚wD‡ > 70 82 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018744777380, 16 bytes long.
Data: <P$wD‡ > 50 24 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018744772450, 40 bytes long.
Data: < swD‡ ´yD‡ > 80 73 77 44 87 01 00 00 10 B4 79 44 87 01 00 00
{279} normal block at 0x0000018744777330, 16 bytes long.
Data: <P‚wD‡ > 50 82 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018744777C90, 16 bytes long.
Data: <(‚wD‡ > 28 82 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018744771510, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{276} normal block at 0x0000018744777B50, 16 bytes long.
Data: < ‚wD‡ > 00 82 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018744778200, 992 bytes long.
Data: <P{wD‡ wD‡ > 50 7B 77 44 87 01 00 00 10 15 77 44 87 01 00 00
{111} normal block at 0x0000018744770B50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{110} normal block at 0x000001874476A640, 16 bytes long.
Data: < %wD‡ > A0 25 77 44 87 01 00 00 00 00 00 00 00 00 00 00
{109} normal block at 0x00000187447725A0, 40 bytes long.
Data: <@¦vD‡ P wD‡ > 40 A6 76 44 87 01 00 00 50 0B 77 44 87 01 00 00
{88} normal block at 0x000001874476ABE0, 16 bytes long.
Data: < êþv÷ > 80 EA FE 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001874476A9B0, 16 bytes long.
Data: <@éþv÷ > 40 E9 FE 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001874476AEB0, 16 bytes long.
Data: <øWûv÷ > F8 57 FB 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001874476A280, 16 bytes long.
Data: <ØWûv÷ > D8 57 FB 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001874476AAF0, 16 bytes long.
Data: <P ûv÷ > 50 04 FB 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001874476A910, 16 bytes long.
Data: <0 ûv÷ > 30 04 FB 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001874476A780, 16 bytes long.
Data: <à ûv÷ > E0 02 FB 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001874476AAA0, 16 bytes long.
Data: < ûv÷ > 10 04 FB 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001874476A5A0, 16 bytes long.
Data: <p ûv÷ > 70 04 FB 76 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001874476A3C0, 16 bytes long.
Data: < Àùv÷ > 18 C0 F9 76 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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