Task 38650056

Name	test_448-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND5176_0
Workunit	31594589
Created	23 Oct 2026, 22:39:48 UTC
Sent	23 Oct 2026, 22:53:20 UTC
Report deadline	28 Oct 2026, 22:53:20 UTC
Received	24 Oct 2026, 12:22:42 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	429162
Run time	3 min 39 sec
CPU time	1 min 41 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	13,278.76 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	638.17 MB
Peak swap size	3.78 GB
Peak disk usage	2.84 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:55:05 (21160): wrapper (7.9.26016): starting
00:55:05 (21160): 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
00:55:06 (21160): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:55:06 (21160): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835191} normal block at 0x00000193FC219490, 8 bytes long.
 Data: <        > 00 00 B3 FD 93 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000193FDE3A8A0, 1080 bytes long.
 Data: < %      l       > A8 25 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000193FC2252F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
12:31:03 (10456): wrapper (7.9.26016): starting
12:31:03 (10456): 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:\ProgramData\BOINC\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 'D:\ProgramData\BOINC\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.
14:19:21 (14408): wrapper (7.9.26016): starting
14:19:21 (14408): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo D:\ProgramData\BOINC\slots\0\tmp.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
    replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
    raise ValueError("Invalid input string")
ValueError: Invalid input string

During handling of the above exception, another exception occurred:

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:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
    stateid = self.status[repl]['stateid_current']
              ^^^^^^^^^^^
  File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
    return object.__getattribute__(self,name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
14:21:00 (14408): C:/Windows/system32/cmd.exe exited; CPU time 19.671875
14:21:00 (14408): app exit status: 0x16
14:21:00 (14408): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 1231085 bytes.
Dumping objects ->
{1626} normal block at 0x000001E6B14A1170, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1615} normal block at 0x000001E6B14A1100, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1604} normal block at 0x000001E6B14A1090, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1593} normal block at 0x000001E6B14A16B0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1582} normal block at 0x000001E6B14A11E0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{1551} normal block at 0x000001E6B148A2C0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1540} normal block at 0x000001E6B1490BF0, 85 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) : {1537} normal block at 0x000001E6B14A8410, 8 bytes long.
 Data: <        > 00 00 E4 B2 E6 01 00 00 
{912} normal block at 0x000001E6B1490AC0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{305} normal block at 0x000001E6B14A80F0, 8 bytes long.
 Data: < pJ     > 90 70 4A B1 E6 01 00 00 
{296} normal block at 0x000001E6B1489A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001E6B14A83C0, 16 bytes long.
 Data: <  J             > D8 8D 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E6B14A7B50, 16 bytes long.
 Data: <  J             > B0 8D 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E6B14A25C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001E6B14A7B00, 16 bytes long.
 Data: <  J             > 88 8D 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E6B14A78D0, 16 bytes long.
 Data: <` J             > 60 8D 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E6B14A8370, 16 bytes long.
 Data: <8 J             > 38 8D 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E6B14A7880, 16 bytes long.
 Data: <  J             > 10 8D 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E6B14A1790, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001E6B14A7AB0, 16 bytes long.
 Data: <8 I             > 38 0F 49 B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E6B14A1D20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001E6B14A7790, 16 bytes long.
 Data: <  I             > 10 0F 49 B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E6B14A8320, 16 bytes long.
 Data: <  I             > E8 0E 49 B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6B14A7E70, 16 bytes long.
 Data: <  I             > C0 0E 49 B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E6B14A7A60, 16 bytes long.
 Data: <  I             > 98 0E 49 B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E6B14A8640, 16 bytes long.
 Data: <p I             > 70 0E 49 B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E6B14A82D0, 16 bytes long.
 Data: <H I             > 48 0E 49 B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E6B14A1F00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001E6B14A8500, 16 bytes long.
 Data: <  I             > 20 0E 49 B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E6B1490E20, 320 bytes long.
 Data: <  J       J     > 00 85 4A B1 E6 01 00 00 00 1F 4A B1 E6 01 00 00 
{275} normal block at 0x000001E6B14A8460, 16 bytes long.
 Data: <  J             > F0 8C 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E6B14A7BF0, 16 bytes long.
 Data: <  J             > C8 8C 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E6B14A2320, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001E6B14A8280, 16 bytes long.
 Data: <  J             > A0 8C 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E6B14A1C00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001E6B14A8230, 16 bytes long.
 Data: <  J             > E8 8B 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E6B14A79C0, 16 bytes long.
 Data: <  J             > C0 8B 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E6B14A7BA0, 16 bytes long.
 Data: <  J             > 98 8B 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E6B14A7830, 16 bytes long.
 Data: <p J             > 70 8B 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E6B14A7740, 16 bytes long.
 Data: <H J             > 48 8B 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E6B14A85A0, 16 bytes long.
 Data: <  J             > 20 8B 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E6B14A7E20, 16 bytes long.
 Data: <  J             > A0 13 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E6B14A13A0, 40 bytes long.
 Data: < ~J       H     > 20 7E 4A B1 E6 01 00 00 C0 A2 48 B1 E6 01 00 00 
{261} normal block at 0x000001E6B14A81E0, 16 bytes long.
 Data: <  J             > 00 8B 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E6B14A8190, 16 bytes long.
 Data: <  J             > D8 8A 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E6B14A2620, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001E6B14A80A0, 16 bytes long.
 Data: <  J             > B0 8A 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E6B14A8AB0, 992 bytes long.
 Data: <  J      &J     > A0 80 4A B1 E6 01 00 00 20 26 4A B1 E6 01 00 00 
{93} normal block at 0x000001E6B14A18A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001E6B149C7A0, 16 bytes long.
 Data: <@ J             > 40 16 4A B1 E6 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001E6B14A1640, 40 bytes long.
 Data: <  I       J     > A0 C7 49 B1 E6 01 00 00 A0 18 4A B1 E6 01 00 00 
{70} normal block at 0x000001E6B149CBB0, 16 bytes long.
 Data: <  ?             > 80 EA 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E6B149CF20, 16 bytes long.
 Data: <@ ?             > 40 E9 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E6B149C570, 16 bytes long.
 Data: < W<             > F8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E6B149CED0, 16 bytes long.
 Data: < W<             > D8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E6B149CD40, 16 bytes long.
 Data: <P <             > 50 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E6B149CAC0, 16 bytes long.
 Data: <0 <             > 30 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E6B149CE80, 16 bytes long.
 Data: <  <             > E0 02 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E6B149C520, 16 bytes long.
 Data: <  <             > 10 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E6B149C4D0, 16 bytes long.
 Data: <p <             > 70 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E6B149C480, 16 bytes long.
 Data: <  :             > 18 C0 3A E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>