Task 38668543
| Name | test_338-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND4968_1 |
| Workunit | 31610998 |
| Created | 25 Oct 2026, 12:04:10 UTC |
| Sent | 25 Oct 2026, 12:04:24 UTC |
| Report deadline | 30 Oct 2026, 12:04:24 UTC |
| Received | 25 Oct 2026, 12:08:38 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 585156 |
| Run time | 2 min 16 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 43,943.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 142.45 MB |
| Peak swap size | 5.76 GB |
| Peak disk usage | 2.86 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:06:51 (33440): wrapper (7.9.26016): starting
13:06:51 (33440): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
13:06:57 (33440): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:06:57 (33440): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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 "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
13:07:34 (33440): C:/Windows/system32/cmd.exe exited; CPU time 0.703125
13:07:34 (33440): app exit status: 0x16
13:07:34 (33440): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 1118721 bytes.
Dumping objects ->
{3835244} normal block at 0x000001E6E33A6400, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000001E6E33A6550, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000001E6E33A7040, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835211} normal block at 0x000001E6E33A6FD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835200} normal block at 0x000001E6E33A6390, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835169} normal block at 0x000001E6E33A75D0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x000001E6E4E6E130, 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) : {3835155} normal block at 0x000001E6E3376990, 8 bytes long.
Data: < ÷äæ > 00 00 F7 E4 E6 01 00 00
{3834549} normal block at 0x000001E6E4E6E550, 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 0x000001E6E3377660, 8 bytes long.
Data: <À#7ãæ > C0 23 37 E3 E6 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001E6E3381A40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001E6E3377D70, 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 0x000001E6E3382EE0, 16 bytes long.
Data: <x@8ãæ > 78 40 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E6E3382990, 16 bytes long.
Data: <P@8ãæ > 50 40 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E6E337C490, 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 0x000001E6E33837F0, 16 bytes long.
Data: <(@8ãæ > 28 40 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E6E3382C10, 16 bytes long.
Data: < @8ãæ > 00 40 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E6E3382E90, 16 bytes long.
Data: <Ø?8ãæ > D8 3F 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E6E3383110, 16 bytes long.
Data: <°?8ãæ > B0 3F 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E6E337DE00, 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 0x000001E6E3382B70, 16 bytes long.
Data: < ´6ãæ > 98 B4 36 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E6E337BE30, 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 0x000001E6E3382E40, 16 bytes long.
Data: <p´6ãæ > 70 B4 36 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E6E3382DF0, 16 bytes long.
Data: <H´6ãæ > 48 B4 36 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E6E3383520, 16 bytes long.
Data: < ´6ãæ > 20 B4 36 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E6E33834D0, 16 bytes long.
Data: <ø³6ãæ > F8 B3 36 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E6E33830C0, 16 bytes long.
Data: <г6ãæ > D0 B3 36 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E6E3382DA0, 16 bytes long.
Data: <¨³6ãæ > A8 B3 36 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E6E337C0D0, 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 0x000001E6E3383610, 16 bytes long.
Data: < ³6ãæ > 80 B3 36 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E6E336B380, 320 bytes long.
Data: < 68ãæ ÐÀ7ãæ > 10 36 38 E3 E6 01 00 00 D0 C0 37 E3 E6 01 00 00
{278} normal block at 0x000001E6E3382FD0, 16 bytes long.
Data: < ?8ãæ > 90 3F 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E6E3382D50, 16 bytes long.
Data: <h?8ãæ > 68 3F 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E6E337C250, 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 0x000001E6E3382CB0, 16 bytes long.
Data: <@?8ãæ > 40 3F 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E6E337B950, 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 0x000001E6E3382F30, 16 bytes long.
Data: < >8ãæ > 88 3E 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E6E3383570, 16 bytes long.
Data: <`>8ãæ > 60 3E 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E6E3383070, 16 bytes long.
Data: <8>8ãæ > 38 3E 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E6E33833E0, 16 bytes long.
Data: < >8ãæ > 10 3E 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E6E3382B20, 16 bytes long.
Data: <è=8ãæ > E8 3D 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E6E3382C60, 16 bytes long.
Data: <À=8ãæ > C0 3D 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E6E3383480, 16 bytes long.
Data: <0Ù7ãæ > 30 D9 37 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E6E337D930, 40 bytes long.
Data: < 48ãæ Ðu:ãæ > 80 34 38 E3 E6 01 00 00 D0 75 3A E3 E6 01 00 00
{264} normal block at 0x000001E6E3383890, 16 bytes long.
Data: < =8ãæ > A0 3D 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E6E3383840, 16 bytes long.
Data: <x=8ãæ > 78 3D 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E6E337B8F0, 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 0x000001E6E33831B0, 16 bytes long.
Data: <P=8ãæ > 50 3D 38 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E6E3383D50, 992 bytes long.
Data: <°18ãæ ð¸7ãæ > B0 31 38 E3 E6 01 00 00 F0 B8 37 E3 E6 01 00 00
{96} normal block at 0x000001E6E337B770, 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 0x000001E6E3376940, 16 bytes long.
Data: < Ú7ãæ > 10 DA 37 E3 E6 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001E6E337DA10, 40 bytes long.
Data: <@i7ãæ p·7ãæ > 40 69 37 E3 E6 01 00 00 70 B7 37 E3 E6 01 00 00
{73} normal block at 0x000001E6E3377250, 16 bytes long.
Data: < êAÃö > 80 EA 41 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E6E3377610, 16 bytes long.
Data: <@éAÃö > 40 E9 41 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E6E3376CB0, 16 bytes long.
Data: <øW>Ãö > F8 57 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E6E33771B0, 16 bytes long.
Data: <ØW>Ãö > D8 57 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E6E3376C60, 16 bytes long.
Data: <P >Ãö > 50 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E6E3377200, 16 bytes long.
Data: <0 >Ãö > 30 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E6E3376C10, 16 bytes long.
Data: <à >Ãö > E0 02 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E6E3376F30, 16 bytes long.
Data: < >Ãö > 10 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E6E3376A30, 16 bytes long.
Data: <p >Ãö > 70 04 3E C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E6E3377110, 16 bytes long.
Data: < À<Ãö > 18 C0 3C C3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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