Task 38668522
| Name | test_663-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND0372_0 |
| Workunit | 31611025 |
| Created | 25 Oct 2026, 11:59:59 UTC |
| Sent | 25 Oct 2026, 12:00:08 UTC |
| Report deadline | 30 Oct 2026, 12:00:08 UTC |
| Received | 25 Oct 2026, 12:04:11 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 14 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 | 52.14 MB |
| Peak swap size | 39.22 MB |
| Peak disk usage | 1.57 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>
13:02:39 (31824): wrapper (7.9.26016): starting
13:02:39 (31824): 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
13:02:42 (31824): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:02:42 (31824): 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\7\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\7\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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\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\7\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
13:03:21 (31824): C:/Windows/system32/cmd.exe exited; CPU time 0.656250
13:03:21 (31824): app exit status: 0x16
13:03:21 (31824): 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: 1117025 bytes.
Dumping objects ->
{3835244} normal block at 0x000001E7C8EC65F0, 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 0x000001E7C8EC7230, 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 0x000001E7C8EC6510, 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 0x000001E7C8EC6B30, 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 0x000001E7C8EC6AC0, 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 0x000001E7C8EC78A0, 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 0x000001E7CA9FE0E0, 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 0x000001E7C8E96E80, 8 bytes long.
Data: < äÈç > 00 00 E4 C8 E7 01 00 00
{3834549} normal block at 0x000001E7CA9FE450, 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 0x000001E7C8E97740, 8 bytes long.
Data: <Pr£Êç > 50 72 A3 CA E7 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001E7C8EA1D10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001E7C8E860C0, 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 0x000001E7C8EA3890, 16 bytes long.
Data: <HCêÈç > 48 43 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E7C8EA3840, 16 bytes long.
Data: < CêÈç > 20 43 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E7C8E9C280, 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 0x000001E7C8EA37A0, 16 bytes long.
Data: <øBêÈç > F8 42 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E7C8EA36B0, 16 bytes long.
Data: <ÐBêÈç > D0 42 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E7C8EA32A0, 16 bytes long.
Data: <¨BêÈç > A8 42 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E7C8EA2FD0, 16 bytes long.
Data: < BêÈç > 80 42 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E7C8E9DF80, 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 0x000001E7C8EA3200, 16 bytes long.
Data: <¸ØéÈç > B8 D8 E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E7C8E9BC20, 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 0x000001E7C8EA39D0, 16 bytes long.
Data: < ØéÈç > 90 D8 E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E7C8EA2E90, 16 bytes long.
Data: <hØéÈç > 68 D8 E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E7C8EA3700, 16 bytes long.
Data: <@ØéÈç > 40 D8 E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E7C8EA3980, 16 bytes long.
Data: < ØéÈç > 18 D8 E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E7C8EA2E40, 16 bytes long.
Data: <ð×éÈç > F0 D7 E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E7C8EA3430, 16 bytes long.
Data: <È×éÈç > C8 D7 E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E7C8E9B9E0, 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 0x000001E7C8EA37F0, 16 bytes long.
Data: < ×éÈç > A0 D7 E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E7C8E9D7A0, 320 bytes long.
Data: <ð7êÈç à¹éÈç > F0 37 EA C8 E7 01 00 00 E0 B9 E9 C8 E7 01 00 00
{278} normal block at 0x000001E7C8EA3660, 16 bytes long.
Data: <`BêÈç > 60 42 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E7C8EA3750, 16 bytes long.
Data: <8BêÈç > 38 42 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E7C8E9C0A0, 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 0x000001E7C8EA3610, 16 bytes long.
Data: < BêÈç > 10 42 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E7C8E9BF80, 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 0x000001E7C8EA35C0, 16 bytes long.
Data: <XAêÈç > 58 41 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E7C8EA2F30, 16 bytes long.
Data: <0AêÈç > 30 41 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E7C8EA3570, 16 bytes long.
Data: < AêÈç > 08 41 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E7C8EA3070, 16 bytes long.
Data: <à@êÈç > E0 40 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E7C8EA2DF0, 16 bytes long.
Data: <¸@êÈç > B8 40 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E7C8EA3B60, 16 bytes long.
Data: < @êÈç > 90 40 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E7C8EA3B10, 16 bytes long.
Data: <ÀÝéÈç > C0 DD E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E7C8E9DDC0, 40 bytes long.
Data: < ;êÈç  xìÈç > 10 3B EA C8 E7 01 00 00 A0 78 EC C8 E7 01 00 00
{264} normal block at 0x000001E7C8EA3520, 16 bytes long.
Data: <p@êÈç > 70 40 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E7C8EA31B0, 16 bytes long.
Data: <H@êÈç > 48 40 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E7C8E9C520, 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 0x000001E7C8EA3390, 16 bytes long.
Data: < @êÈç > 20 40 EA C8 E7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E7C8EA4020, 992 bytes long.
Data: < 3êÈç ÅéÈç > 90 33 EA C8 E7 01 00 00 20 C5 E9 C8 E7 01 00 00
{96} normal block at 0x000001E7C8E9C160, 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 0x000001E7C8E97AB0, 16 bytes long.
Data: <ðßéÈç > F0 DF E9 C8 E7 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001E7C8E9DFF0, 40 bytes long.
Data: <°zéÈç `ÁéÈç > B0 7A E9 C8 E7 01 00 00 60 C1 E9 C8 E7 01 00 00
{73} normal block at 0x000001E7C8E973D0, 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 0x000001E7C8E976F0, 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 0x000001E7C8E97380, 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 0x000001E7C8E96E30, 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 0x000001E7C8E97B00, 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 0x000001E7C8E97650, 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 0x000001E7C8E976A0, 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 0x000001E7C8E96D90, 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 0x000001E7C8E97880, 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 0x000001E7C8E97290, 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>
]]>
©2026 Universitat Pompeu Fabra