Task 38608314

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:55:33 (43608): wrapper (7.9.26016): starting
17:55:33 (43608): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A23_A28_0.pdb
QB_A23_A28_0.xml
QB_A23_A28.inpcrd
QB_A23_A28_input.yaml
QB_A23_A28.pdb
QB_A23_A28.prmtop
QB_A23_A28_sys.xml
run.bat
run.sh
17:55:34 (43608): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:55:34 (43608): 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\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 'C:\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.
19:45:07 (24748): wrapper (7.9.26016): starting
19:45:07 (24748): 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 C:\ProgramData\BOINC\slots\0\tmp.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1533} normal block at 0x0000024601E35DA0, 8 bytes long.
 Data: <    F   > 00 00 DA 01 46 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000024601E36B90, 1080 bytes long.
 Data: <d               > 64 1D 00 00 CD CD CD CD A0 01 00 00 00 00 00 00 
Object dump complete.
20:05:20 (8372): wrapper (7.9.26016): starting
20:05:20 (8372): 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 C:\ProgramData\BOINC\slots\0\tmp.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1533} normal block at 0x000001C265475F40, 8 bytes long.
 Data: <   e    > 00 00 9D 65 C2 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001C265476740, 1080 bytes long.
 Data: <D[              > 44 5B 00 00 CD CD CD CD B4 01 00 00 00 00 00 00 
Object dump complete.
06:56:56 (24888): wrapper (7.9.26016): starting
06:56:56 (24888): 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 C:\ProgramData\BOINC\slots\0\tmp.
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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 212, in _update_replica
    pot = job['openmm_worker'].get_energy()
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
    return self._worker_getenergy()
           ^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
    state = self.simulation.context.getState(getEnergy = True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Particle coordinate is NaN.  For more information, see https://github.com/openmm/openmm/wiki/Frequently-Asked-Questions#nan
07:45:27 (24888): C:/Windows/system32/cmd.exe exited; CPU time 2792.781250
07:45:27 (24888): app exit status: 0x16
07:45:27 (24888): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 55173162 bytes.
Dumping objects ->
{1621} normal block at 0x00000288A49A4CF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1610} normal block at 0x00000288A49A4BA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1599} normal block at 0x00000288A49A4EB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1588} normal block at 0x00000288A49A5000, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1577} normal block at 0x00000288A49A4F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1546} normal block at 0x00000288A4990990, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1533} normal block at 0x00000288A49A66B0, 8 bytes long.
 Data: <        > 00 00 94 A4 88 02 00 00 
{305} normal block at 0x00000288A49A5C60, 8 bytes long.
 Data: < k      > 90 6B 9A A4 88 02 00 00 
{296} normal block at 0x00000288A4992540, 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 0x00000288A49A5B20, 16 bytes long.
 Data: < j              > 98 6A 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000288A49A5AD0, 16 bytes long.
 Data: <pj              > 70 6A 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000288A499FBF0, 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 0x00000288A49A6340, 16 bytes long.
 Data: <Hj              > 48 6A 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000288A49A5F80, 16 bytes long.
 Data: < j              > 20 6A 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000288A49A58F0, 16 bytes long.
 Data: < i              > F8 69 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000288A49A6070, 16 bytes long.
 Data: < i              > D0 69 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000288A49A4B30, 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 0x00000288A49A5A80, 16 bytes long.
 Data: <                > 18 00 99 A4 88 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000288A499FF50, 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 0x00000288A49A5F30, 16 bytes long.
 Data: <                > F0 FF 98 A4 88 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000288A49A57B0, 16 bytes long.
 Data: <                > C8 FF 98 A4 88 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000288A49A5800, 16 bytes long.
 Data: <                > A0 FF 98 A4 88 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000288A49A6520, 16 bytes long.
 Data: <x               > 78 FF 98 A4 88 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000288A49A6160, 16 bytes long.
 Data: <P               > 50 FF 98 A4 88 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000288A49A6250, 16 bytes long.
 Data: <(               > 28 FF 98 A4 88 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000288A499FB30, 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 0x00000288A49A5E40, 16 bytes long.
 Data: <                > 00 FF 98 A4 88 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000288A498FF00, 320 bytes long.
 Data: <@^      0       > 40 5E 9A A4 88 02 00 00 30 FB 99 A4 88 02 00 00 
{275} normal block at 0x00000288A49A5DF0, 16 bytes long.
 Data: < i              > B0 69 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000288A49A59E0, 16 bytes long.
 Data: < i              > 88 69 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000288A499F890, 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 0x00000288A49A64D0, 16 bytes long.
 Data: <`i              > 60 69 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000288A499F6B0, 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 0x00000288A49A5E90, 16 bytes long.
 Data: < h              > A8 68 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000288A49A5FD0, 16 bytes long.
 Data: < h              > 80 68 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000288A49A5EE0, 16 bytes long.
 Data: <Xh              > 58 68 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000288A49A5D50, 16 bytes long.
 Data: <0h              > 30 68 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000288A49A6610, 16 bytes long.
 Data: < h              > 08 68 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000288A49A6660, 16 bytes long.
 Data: < g              > E0 67 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000288A49A5940, 16 bytes long.
 Data: < J              > C0 4A 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000288A49A4AC0, 40 bytes long.
 Data: <@Y              > 40 59 9A A4 88 02 00 00 90 09 99 A4 88 02 00 00 
{261} normal block at 0x00000288A49A5D00, 16 bytes long.
 Data: < g              > C0 67 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000288A49A5C10, 16 bytes long.
 Data: < g              > 98 67 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000288A49A0070, 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 0x00000288A49A5A30, 16 bytes long.
 Data: <pg              > 70 67 9A A4 88 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000288A49A6770, 992 bytes long.
 Data: <0Z      p       > 30 5A 9A A4 88 02 00 00 70 00 9A A4 88 02 00 00 
{93} normal block at 0x00000288A499FB90, 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 0x00000288A499D430, 16 bytes long.
 Data: <P               > 50 D4 98 A4 88 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000288A498D450, 40 bytes long.
 Data: <0               > 30 D4 99 A4 88 02 00 00 90 FB 99 A4 88 02 00 00 
{70} normal block at 0x00000288A499D930, 16 bytes long.
 Data: <   `            > 80 EA FE 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000288A499DED0, 16 bytes long.
 Data: <@  `            > 40 E9 FE 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000288A499D520, 16 bytes long.
 Data: < W `            > F8 57 FB 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000288A499DA20, 16 bytes long.
 Data: < W `            > D8 57 FB 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000288A499DE30, 16 bytes long.
 Data: <P  `            > 50 04 FB 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000288A499D980, 16 bytes long.
 Data: <0  `            > 30 04 FB 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000288A499D340, 16 bytes long.
 Data: <   `            > E0 02 FB 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000288A499DDE0, 16 bytes long.
 Data: <   `            > 10 04 FB 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000288A499E010, 16 bytes long.
 Data: <p  `            > 70 04 FB 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000288A499DB10, 16 bytes long.
 Data: <   `            > 18 C0 F9 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

©2026 Universitat Pompeu Fabra