Task 38645176

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
O sistema operacional n�o pode executar (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:23:35 (13828): wrapper (7.9.26016): starting
18:23:35 (13828): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A23_0.pdb
QB_A20_A23_0.xml
QB_A20_A23.inpcrd
QB_A20_A23_input.yaml
QB_A20_A23.pdb
QB_A20_A23.prmtop
QB_A20_A23_sys.xml
run.bat
run.sh
18:23:38 (13828): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:23:38 (13828): 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\12\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\12\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) : {3835091} normal block at 0x00000188C8A16AD0, 8 bytes long.
 Data: <  1     > 00 00 31 CA 88 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833942} normal block at 0x00000188C8AA3120, 1080 bytes long.
 Data: <<$              > 3C 24 00 00 CD CD CD CD AC 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000188C8A20E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
19:08:02 (11840): wrapper (7.9.26016): starting
19:08:02 (11840): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
J&#160; existe uma subpasta ou um arquivo C:\ProgramData\BOINC\slots\12\tmp.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1445} normal block at 0x00000263A2AF29C0, 8 bytes long.
 Data: <    c   > 00 00 AA A2 63 02 00 00 
..\lib\diagnostics_win.cpp(417) : {296} normal block at 0x00000263A2AF3570, 1080 bytes long.
 Data: < L      H       > A4 4C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
19:24:01 (19820): wrapper (7.9.26016): starting
19:24:01 (19820): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
J&#160; existe uma subpasta ou um arquivo C:\ProgramData\BOINC\slots\12\tmp.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1445} normal block at 0x000001F0B9702D20, 8 bytes long.
 Data: <        > 00 00 0D BB F0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {296} normal block at 0x000001F0B97035B0, 1080 bytes long.
 Data: < 2      H       > A4 32 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
19:28:37 (2472): wrapper (7.9.26016): starting
19:28:37 (2472): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
J&#160; existe uma subpasta ou um arquivo C:\ProgramData\BOINC\slots\12\tmp.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1445} normal block at 0x0000018956793E20, 8 bytes long.
 Data: <   X    > 00 00 0C 58 89 01 00 00 
..\lib\diagnostics_win.cpp(417) : {296} normal block at 0x0000018956794B70, 1080 bytes long.
 Data: < 3      H       > EC 33 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
19:41:54 (21820): wrapper (7.9.26016): starting
19:41:54 (21820): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
J&#160; existe uma subpasta ou um arquivo C:\ProgramData\BOINC\slots\12\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\12\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\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\12\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
    return self._worker_getenergy()
           ^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
    state = self.simulation.context.getState(getEnergy = True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\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
19:42:31 (21820): C:/Windows/system32/cmd.exe exited; CPU time 30.343750
19:42:31 (21820): app exit status: 0x16
19:42:31 (21820): 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: 605593 bytes.
Dumping objects ->
{1533} normal block at 0x00000214007EC300, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1522} normal block at 0x00000214007EBFF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1511} normal block at 0x00000214007EC290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1500} normal block at 0x00000214007EC450, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1489} normal block at 0x00000214007EC4C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1458} normal block at 0x00000214007D3230, 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) : {1445} normal block at 0x00000214007F3410, 8 bytes long.
 Data: <  {     > 00 00 7B 00 14 02 00 00 
{297} normal block at 0x00000214007F32D0, 8 bytes long.
 Data: <0D      > 30 44 7F 00 14 02 00 00 
{288} normal block at 0x00000214007DCF90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x00000214007F3320, 16 bytes long.
 Data: <8C              > 38 43 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000214007F3640, 16 bytes long.
 Data: < C              > 10 43 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000214007EDCA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000214007F3820, 16 bytes long.
 Data: < B              > E8 42 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000214007F3550, 16 bytes long.
 Data: < B              > C0 42 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000214007F34B0, 16 bytes long.
 Data: < B              > 98 42 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000214007F3280, 16 bytes long.
 Data: <pB              > 70 42 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000214007EC1B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x00000214007F3230, 16 bytes long.
 Data: < Y}             > E8 59 7D 00 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000214007ED640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000214007F3B40, 16 bytes long.
 Data: < Y}             > C0 59 7D 00 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000214007F31E0, 16 bytes long.
 Data: < Y}             > 98 59 7D 00 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000214007F3C30, 16 bytes long.
 Data: <pY}             > 70 59 7D 00 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000214007F3190, 16 bytes long.
 Data: <HY}             > 48 59 7D 00 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000214007F3140, 16 bytes long.
 Data: < Y}             > 20 59 7D 00 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000214007F3B90, 16 bytes long.
 Data: < X}             > F8 58 7D 00 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000214007ED520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x00000214007F3F50, 16 bytes long.
 Data: < X}             > D0 58 7D 00 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000214007D58D0, 320 bytes long.
 Data: <P?        ~     > 50 3F 7F 00 14 02 00 00 20 D5 7E 00 14 02 00 00 
{267} normal block at 0x00000214007F3F00, 16 bytes long.
 Data: <PB              > 50 42 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000214007F3EB0, 16 bytes long.
 Data: <(B              > 28 42 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000214007EDF40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000214007F30A0, 16 bytes long.
 Data: < B              > 00 42 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000214007EDC40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000214007F3AF0, 16 bytes long.
 Data: <HA              > 48 41 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000214007F3D20, 16 bytes long.
 Data: < A              > 20 41 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000214007F3AA0, 16 bytes long.
 Data: < @              > F8 40 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000214007F3C80, 16 bytes long.
 Data: < @              > D0 40 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000214007F3D70, 16 bytes long.
 Data: < @              > A8 40 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000214007F3A50, 16 bytes long.
 Data: < @              > 80 40 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000214007F3E60, 16 bytes long.
 Data: <@ ~             > 40 C1 7E 00 14 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000214007EC140, 40 bytes long.
 Data: <`>      02}     > 60 3E 7F 00 14 02 00 00 30 32 7D 00 14 02 00 00 
{253} normal block at 0x00000214007F3CD0, 16 bytes long.
 Data: <`@              > 60 40 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000214007F35A0, 16 bytes long.
 Data: <8@              > 38 40 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000214007ED3A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000214007F35F0, 16 bytes long.
 Data: < @              > 10 40 7F 00 14 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000214007F4010, 992 bytes long.
 Data: < 5        ~     > F0 35 7F 00 14 02 00 00 A0 D3 7E 00 14 02 00 00 
{85} normal block at 0x00000214007EDD60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000214007E7B30, 16 bytes long.
 Data: <  ~             > D0 C0 7E 00 14 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000214007EC0D0, 40 bytes long.
 Data: <0{~     ` ~     > 30 7B 7E 00 14 02 00 00 60 DD 7E 00 14 02 00 00 
{62} normal block at 0x00000214007E79A0, 16 bytes long.
 Data: <  m             > 80 EA 6D AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000214007E7950, 16 bytes long.
 Data: <@ m             > 40 E9 6D AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000214007E7310, 16 bytes long.
 Data: < Wj             > F8 57 6A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000214007E74F0, 16 bytes long.
 Data: < Wj             > D8 57 6A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000214007E71D0, 16 bytes long.
 Data: <P j             > 50 04 6A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000214007E7FE0, 16 bytes long.
 Data: <0 j             > 30 04 6A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000214007E7AE0, 16 bytes long.
 Data: <  j             > E0 02 6A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000214007E7900, 16 bytes long.
 Data: <  j             > 10 04 6A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000214007E7270, 16 bytes long.
 Data: <p j             > 70 04 6A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000214007E7F90, 16 bytes long.
 Data: <  h             > 18 C0 68 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

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