Task 38677541

Name	test_727-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1308_0
Workunit	31619410
Created	26 Oct 2026, 14:38:17 UTC
Sent	26 Oct 2026, 14:38:22 UTC
Report deadline	31 Oct 2026, 14:38:22 UTC
Received	27 Oct 2026, 7:04:41 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	602698
Run time	55 min
CPU time	50 min 9 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	7,952.42 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	689.38 MB
Peak swap size	6.71 GB
Peak disk usage	3.02 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:04:37 (10204): wrapper (7.9.26016): starting
19:04:37 (10204): 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
19:04:39 (10204): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:04:39 (10204): 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 'D:\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 'D:\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835140} normal block at 0x0000022DAA545E50, 8 bytes long.
 Data: <    -   > 00 00 E5 AB 2D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833940} normal block at 0x0000022DAA53AA40, 1080 bytes long.
 Data: <        |       > 10 17 00 00 CD CD CD CD 7C 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000022DAA5514F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
08:00:01 (2164): wrapper (7.9.26016): starting
08:00:01 (2164): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r&#130;pertoire ou un fichier D:\BOINC\slots\1\tmp existe d&#130;j&#133;.
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 "D:\BOINC\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\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 "D:\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "D:\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "D:\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
    self.simulation.loadState(self.basename + "_0.xml")
  File "D:\BOINC\slots\1\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
    return XmlSerializer._deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 19590, in _deserializeState
    return _openmm.XmlSerializer__deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
08:00:29 (2164): C:/Windows/system32/cmd.exe exited; CPU time 13.453125
08:00:29 (2164): app exit status: 0x16
08:00:29 (2164): called boinc_finish(195)
0 bytes in 0 Free Blocks.
458 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: 362996 bytes.
Dumping objects ->
{1584} normal block at 0x000002289CC6BB80, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1573} normal block at 0x000002289CC6D4E0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1562} normal block at 0x000002289CC6CA00, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{1551} normal block at 0x000002289CC6D600, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1540} normal block at 0x000002289CC6D5A0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{1509} normal block at 0x000002289CC6BC60, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1498} normal block at 0x000002289CC58E10, 141 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) : {1495} normal block at 0x000002289CC73600, 8 bytes long.
 Data: <  j (   > 00 00 6A 9E 28 02 00 00 
{889} normal block at 0x000002289CC561D0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{296} normal block at 0x000002289CC73EC0, 8 bytes long.
 Data: <@D  (   > 40 44 C7 9C 28 02 00 00 
{287} normal block at 0x000002289CC5AD60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000002289CC73C90, 16 bytes long.
 Data: <HC  (           > 48 43 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002289CC73970, 16 bytes long.
 Data: < C  (           > 20 43 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002289CC6D180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000002289CC73E20, 16 bytes long.
 Data: < B  (           > F8 42 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002289CC73DD0, 16 bytes long.
 Data: < B  (           > D0 42 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002289CC73420, 16 bytes long.
 Data: < B  (           > A8 42 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002289CC73D80, 16 bytes long.
 Data: < B  (           > 80 42 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002289CC6B5D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000002289CC731F0, 16 bytes long.
 Data: <H[  (           > 48 5B C5 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002289CC6D000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000002289CC73A60, 16 bytes long.
 Data: < [  (           > 20 5B C5 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002289CC73FB0, 16 bytes long.
 Data: < Z  (           > F8 5A C5 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002289CC73BF0, 16 bytes long.
 Data: < Z  (           > D0 5A C5 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002289CC73240, 16 bytes long.
 Data: < Z  (           > A8 5A C5 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002289CC731A0, 16 bytes long.
 Data: < Z  (           > 80 5A C5 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002289CC73330, 16 bytes long.
 Data: <XZ  (           > 58 5A C5 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002289CC6D1E0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{268} normal block at 0x000002289CC73920, 16 bytes long.
 Data: <0Z  (           > 30 5A C5 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002289CC55A30, 320 bytes long.
 Data: < 9  (       (   > 20 39 C7 9C 28 02 00 00 E0 D1 C6 9C 28 02 00 00 
{266} normal block at 0x000002289CC73E70, 16 bytes long.
 Data: <`B  (           > 60 42 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002289CC73290, 16 bytes long.
 Data: <8B  (           > 38 42 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002289CC6CD00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000002289CC739C0, 16 bytes long.
 Data: < B  (           > 10 42 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002289CC6D060, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000002289CC734C0, 16 bytes long.
 Data: <XA  (           > 58 41 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002289CC73470, 16 bytes long.
 Data: <0A  (           > 30 41 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002289CC73D30, 16 bytes long.
 Data: < A  (           > 08 41 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002289CC73F10, 16 bytes long.
 Data: < @  (           > E0 40 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002289CC73F60, 16 bytes long.
 Data: < @  (           > B8 40 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002289CC733D0, 16 bytes long.
 Data: < @  (           > 90 40 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002289CC735B0, 16 bytes long.
 Data: <    (           > A0 BA C6 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002289CC6BAA0, 40 bytes long.
 Data: < 5  (   `   (   > B0 35 C7 9C 28 02 00 00 60 BC C6 9C 28 02 00 00 
{252} normal block at 0x000002289CC73CE0, 16 bytes long.
 Data: <p@  (           > 70 40 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002289CC73BA0, 16 bytes long.
 Data: <H@  (           > 48 40 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002289CC6D2A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000002289CC73830, 16 bytes long.
 Data: < @  (           > 20 40 C7 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000002289CC74020, 992 bytes long.
 Data: <08  (       (   > 30 38 C7 9C 28 02 00 00 A0 D2 C6 9C 28 02 00 00 
{84} normal block at 0x000002289CC6D360, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000002289CC677A0, 16 bytes long.
 Data: <0   (           > 30 BA C6 9C 28 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002289CC6BA30, 40 bytes long.
 Data: < w  (   `   (   > A0 77 C6 9C 28 02 00 00 60 D3 C6 9C 28 02 00 00 
{61} normal block at 0x000002289CC67750, 16 bytes long.
 Data: <  q8            > 80 EA 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002289CC67070, 16 bytes long.
 Data: <@ q8            > 40 E9 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002289CC67700, 16 bytes long.
 Data: < Wn8            > F8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002289CC66C60, 16 bytes long.
 Data: < Wn8            > D8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002289CC66F30, 16 bytes long.
 Data: <P n8            > 50 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002289CC676B0, 16 bytes long.
 Data: <0 n8            > 30 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002289CC67430, 16 bytes long.
 Data: <  n8            > E0 02 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002289CC67570, 16 bytes long.
 Data: <  n8            > 10 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002289CC671B0, 16 bytes long.
 Data: <p n8            > 70 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002289CC66EE0, 16 bytes long.
 Data: <  l8            > 18 C0 6C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>