Task 38595997

Name p38_A26_A21_r0_4-QUICO_ATM_GAFF2_LOMAP_P38_2-5-6-RND1421_0
Workunit 31552107
Created 27 Feb 2026, 13:28:42 UTC
Sent 27 Feb 2026, 13:28:46 UTC
Report deadline 4 Mar 2026, 13:28:46 UTC
Received 1 Mar 2026, 20:59:42 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 647027
Run time 22 hours 19 min 18 sec
CPU time 22 hours 19 min 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,814.25 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.14 MB
Peak swap size 12.84 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
Il sistema operativo non pu� eseguire (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:53:28 (4620): wrapper (7.9.26016): starting
19:53:28 (4620): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A21_0.pdb
QB_A26_A21_0.xml
QB_A26_A21_equil.pdb
QB_A26_A21.inpcrd
QB_A26_A21_input.yaml
QB_A26_A21_mdlambda.pdb
QB_A26_A21_min.pdb
QB_A26_A21_npt.pdb
QB_A26_A21.pdb
QB_A26_A21.prmtop
QB_A26_A21_sys.xml
QB_A26_A21_therm.pdb
run.bat
run.sh
19:53:31 (4620): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:53:31 (4620): 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\26\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\26\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) : {3835715} normal block at 0x00000267AFC76EA0, 8 bytes long.
 Data: <    g   > 00 00 C2 AF 67 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3834503} normal block at 0x00000267AFCA9250, 1080 bytes long.
 Data: < /      4       > AC 2F 00 00 CD CD CD CD 34 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000267AFC80F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
22:58:11 (12788): wrapper (7.9.26016): starting
22:58:11 (12788): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file C:\ProgramData\BOINC\slots\26\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x0000014940CF2890, 8 bytes long.
 Data: <   @I   > 00 00 CC 40 49 01 00 00 
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000014940CF1A60, 1080 bytes long.
 Data: <D       L       > 44 03 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
08:22:39 (5916): wrapper (7.9.26016): starting
08:22:39 (5916): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file C:\ProgramData\BOINC\slots\26\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x0000026AAE092CA0, 8 bytes long.
 Data: <    j   > 00 00 04 AE 6A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000026AAE093850, 1080 bytes long.
 Data: < 3      H       > BC 33 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
08:29:42 (11584): wrapper (7.9.26016): starting
08:29:42 (11584): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file C:\ProgramData\BOINC\slots\26\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x000001C00EEE2250, 8 bytes long.
 Data: <        > 00 00 9F 10 C0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000001C00EEE3820, 1080 bytes long.
 Data: <l1      L       > 6C 31 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
21:59:00 (11544): wrapper (7.9.26016): starting
21:59:00 (11544): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file C:\ProgramData\BOINC\slots\26\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\slots\26\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 "C:\ProgramData\BOINC\slots\26\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "C:\ProgramData\BOINC\slots\26\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "C:\ProgramData\BOINC\slots\26\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\26\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 "C:\ProgramData\BOINC\slots\26\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\26\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\26\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "C:\ProgramData\BOINC\slots\26\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\26\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "C:\ProgramData\BOINC\slots\26\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
    stateid = self.status[repl]['stateid_current']
              ^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\26\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'
21:59:26 (11544): C:/Windows/system32/cmd.exe exited; CPU time 13.203125
21:59:26 (11544): app exit status: 0x16
21:59:26 (11544): called boinc_finish(195)
0 bytes in 0 Free Blocks.
496 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: 399167 bytes.
Dumping objects ->
{1601} normal block at 0x000001EF8EB4C3F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1590} normal block at 0x000001EF8EB4C310, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1579} normal block at 0x000001EF8EB4C000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1568} normal block at 0x000001EF8EB4C460, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1557} normal block at 0x000001EF8EB4C1C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1526} normal block at 0x000001EF8EB3C2D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1515} normal block at 0x000001EF8EB35B30, 120 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) : {1512} normal block at 0x000001EF8EB53E30, 8 bytes long.
 Data: <        > 00 00 A9 8E EF 01 00 00 
{903} normal block at 0x000001EF8EB3C910, 120 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{301} normal block at 0x000001EF8EB53840, 8 bytes long.
 Data: < D      > F0 44 B5 8E EF 01 00 00 
{292} normal block at 0x000001EF8EB3B7D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001EF8EB53FC0, 16 bytes long.
 Data: < C              > F8 43 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EF8EB53DE0, 16 bytes long.
 Data: < C              > D0 43 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EF8EB4DE80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001EF8EB53C50, 16 bytes long.
 Data: < C              > A8 43 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EF8EB537F0, 16 bytes long.
 Data: < C              > 80 43 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EF8EB53750, 16 bytes long.
 Data: <XC              > 58 43 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EF8EB53A20, 16 bytes long.
 Data: <0C              > 30 43 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EF8EB4BE40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001EF8EB53ED0, 16 bytes long.
 Data: <h               > 68 C2 B3 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EF8EB4DCA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001EF8EB53BB0, 16 bytes long.
 Data: <@               > 40 C2 B3 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EF8EB538E0, 16 bytes long.
 Data: <                > 18 C2 B3 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EF8EB532A0, 16 bytes long.
 Data: <                > F0 C1 B3 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EF8EB537A0, 16 bytes long.
 Data: <                > C8 C1 B3 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EF8EB536B0, 16 bytes long.
 Data: <                > A0 C1 B3 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EF8EB53A70, 16 bytes long.
 Data: <x               > 78 C1 B3 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EF8EB4DB80, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{273} normal block at 0x000001EF8EB53610, 16 bytes long.
 Data: <P               > 50 C1 B3 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EF8EB3C150, 320 bytes long.
 Data: < 6              > 10 36 B5 8E EF 01 00 00 80 DB B4 8E EF 01 00 00 
{271} normal block at 0x000001EF8EB53F70, 16 bytes long.
 Data: < C              > 10 43 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EF8EB53340, 16 bytes long.
 Data: < B              > E8 42 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EF8EB4D7C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001EF8EB53430, 16 bytes long.
 Data: < B              > C0 42 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EF8EB4DB20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001EF8EB53F20, 16 bytes long.
 Data: < B              > 08 42 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EF8EB535C0, 16 bytes long.
 Data: < A              > E0 41 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EF8EB53570, 16 bytes long.
 Data: < A              > B8 41 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EF8EB53D90, 16 bytes long.
 Data: < A              > 90 41 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EF8EB53B10, 16 bytes long.
 Data: <hA              > 68 41 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EF8EB53250, 16 bytes long.
 Data: <@A              > 40 41 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EF8EB53700, 16 bytes long.
 Data: <                > 80 C3 B4 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EF8EB4C380, 40 bytes long.
 Data: < 7              > 00 37 B5 8E EF 01 00 00 D0 C2 B3 8E EF 01 00 00 
{257} normal block at 0x000001EF8EB534D0, 16 bytes long.
 Data: < A              > 20 41 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EF8EB53660, 16 bytes long.
 Data: < @              > F8 40 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EF8EB4D640, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001EF8EB53520, 16 bytes long.
 Data: < @              > D0 40 B5 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001EF8EB540D0, 992 bytes long.
 Data: < 5      @       > 20 35 B5 8E EF 01 00 00 40 D6 B4 8E EF 01 00 00 
{89} normal block at 0x000001EF8EB4DFA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001EF8EB47F50, 16 bytes long.
 Data: <                > A0 C2 B4 8E EF 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001EF8EB4C2A0, 40 bytes long.
 Data: <P               > 50 7F B4 8E EF 01 00 00 A0 DF B4 8E EF 01 00 00 
{66} normal block at 0x000001EF8EB47410, 16 bytes long.
 Data: <   0            > 80 EA 10 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EF8EB47E60, 16 bytes long.
 Data: <@  0            > 40 E9 10 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EF8EB478C0, 16 bytes long.
 Data: < W 0            > F8 57 0D 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EF8EB47A50, 16 bytes long.
 Data: < W 0            > D8 57 0D 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EF8EB479B0, 16 bytes long.
 Data: <P  0            > 50 04 0D 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EF8EB476E0, 16 bytes long.
 Data: <0  0            > 30 04 0D 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EF8EB47690, 16 bytes long.
 Data: <   0            > E0 02 0D 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EF8EB47190, 16 bytes long.
 Data: <   0            > 10 04 0D 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EF8EB473C0, 16 bytes long.
 Data: <p  0            > 70 04 0D 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EF8EB47E10, 16 bytes long.
 Data: <   0            > 18 C0 0B 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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