Task 38684998

Name test_137-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND1398_1
Workunit 31626296
Created 27 Oct 2026, 18:56:20 UTC
Sent 27 Oct 2026, 18:56:23 UTC
Report deadline 1 Nov 2026, 18:56:23 UTC
Received 28 Oct 2026, 7:01:34 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 602698
Run time 2 min 17 sec
CPU time 23 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 561.47 MB
Peak swap size 6.55 GB
Peak disk usage 3.03 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>
19:58:12 (7372): wrapper (7.9.26016): starting
19:58:12 (7372): 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
19:58:14 (7372): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:58:14 (7372): 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\8\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\8\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 0x000001E0338E7A60, 8 bytes long.
 Data: <  <5    > 00 00 3C 35 E0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833940} normal block at 0x000001E03554B7E0, 1080 bytes long.
 Data: < A              > 84 41 00 00 CD CD CD CD B0 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001E0338F1C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
08:00:02 (15916): wrapper (7.9.26016): starting
08:00:02 (15916): 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\8\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\8\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\8\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\8\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
    self._openmm_worker_body()
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
    self.load_system()
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
    self.system = XmlSerializer.deserialize(input.read())
                                            ^^^^^^^^^^^^
MemoryError
08:00:23 (15916): C:/Windows/system32/cmd.exe exited; CPU time 20.687500
08:00:23 (15916): app exit status: 0x16
08:00:23 (15916): 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: 354838 bytes.
Dumping objects ->
{1584} normal block at 0x00000206CA16A9D0, 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 0x00000206CA16C2C0, 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 0x00000206CA16C200, 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 0x00000206CA16C1A0, 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 0x00000206CA16C620, 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 0x00000206CA16AEA0, 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 0x00000206CA1561D0, 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 0x00000206CA172D50, 8 bytes long.
 Data: <        > 00 00 14 CA 06 02 00 00 
{889} normal block at 0x00000206CA16BB10, 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 0x00000206CA173020, 8 bytes long.
 Data: < 6      > E0 36 17 CA 06 02 00 00 
{287} normal block at 0x00000206CA155BB0, 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 0x00000206CA172CB0, 16 bytes long.
 Data: < 5              > E8 35 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000206CA172B20, 16 bytes long.
 Data: < 5              > C0 35 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000206CA16BF00, 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 0x00000206CA172AD0, 16 bytes long.
 Data: < 5              > 98 35 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206CA1730C0, 16 bytes long.
 Data: <p5              > 70 35 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206CA172580, 16 bytes long.
 Data: <H5              > 48 35 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000206CA172490, 16 bytes long.
 Data: < 5              > 20 35 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000206CA16AD50, 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 0x00000206CA172440, 16 bytes long.
 Data: <H[              > 48 5B 15 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000206CA16C260, 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 0x00000206CA1723F0, 16 bytes long.
 Data: < [              > 20 5B 15 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206CA1723A0, 16 bytes long.
 Data: < Z              > F8 5A 15 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000206CA172C60, 16 bytes long.
 Data: < Z              > D0 5A 15 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000206CA172BC0, 16 bytes long.
 Data: < Z              > A8 5A 15 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000206CA172FD0, 16 bytes long.
 Data: < Z              > 80 5A 15 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000206CA173070, 16 bytes long.
 Data: <XZ              > 58 5A 15 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000206CA16C5C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x00000206CA172F80, 16 bytes long.
 Data: <0Z              > 30 5A 15 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000206CA155A30, 320 bytes long.
 Data: < /              > 80 2F 17 CA 06 02 00 00 C0 C5 16 CA 06 02 00 00 
{266} normal block at 0x00000206CA1726C0, 16 bytes long.
 Data: < 5              > 00 35 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000206CA172350, 16 bytes long.
 Data: < 4              > D8 34 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000206CA16C4A0, 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 0x00000206CA172C10, 16 bytes long.
 Data: < 4              > B0 34 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000206CA16BDE0, 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 0x00000206CA172E90, 16 bytes long.
 Data: < 3              > F8 33 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000206CA1729E0, 16 bytes long.
 Data: < 3              > D0 33 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000206CA172530, 16 bytes long.
 Data: < 3              > A8 33 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000206CA172B70, 16 bytes long.
 Data: < 3              > 80 33 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000206CA172A30, 16 bytes long.
 Data: <X3              > 58 33 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000206CA172E40, 16 bytes long.
 Data: <03              > 30 33 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000206CA1724E0, 16 bytes long.
 Data: <                > 80 AF 16 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000206CA16AF80, 40 bytes long.
 Data: < $              > E0 24 17 CA 06 02 00 00 A0 AE 16 CA 06 02 00 00 
{252} normal block at 0x00000206CA172D00, 16 bytes long.
 Data: < 3              > 10 33 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000206CA172620, 16 bytes long.
 Data: < 2              > E8 32 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000206CA16C560, 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 0x00000206CA172710, 16 bytes long.
 Data: < 2              > C0 32 17 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x00000206CA1732C0, 992 bytes long.
 Data: < '      `       > 10 27 17 CA 06 02 00 00 60 C5 16 CA 06 02 00 00 
{84} normal block at 0x00000206CA16C740, 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 0x00000206CA166170, 16 bytes long.
 Data: <0               > 30 AE 16 CA 06 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000206CA16AE30, 40 bytes long.
 Data: <pa      @       > 70 61 16 CA 06 02 00 00 40 C7 16 CA 06 02 00 00 
{61} normal block at 0x00000206CA166580, 16 bytes long.
 Data: <   6            > 80 EA F7 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000206CA166440, 16 bytes long.
 Data: <@  6            > 40 E9 F7 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000206CA165C20, 16 bytes long.
 Data: < W 6            > F8 57 F4 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000206CA166760, 16 bytes long.
 Data: < W 6            > D8 57 F4 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000206CA166A30, 16 bytes long.
 Data: <P  6            > 50 04 F4 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000206CA1660D0, 16 bytes long.
 Data: <0  6            > 30 04 F4 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000206CA165DB0, 16 bytes long.
 Data: <   6            > E0 02 F4 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000206CA166990, 16 bytes long.
 Data: <   6            > 10 04 F4 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000206CA165D10, 16 bytes long.
 Data: <p  6            > 70 04 F4 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000206CA1668F0, 16 bytes long.
 Data: <   6            > 18 C0 F2 36 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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