Task 38643340

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>
23:19:48 (13988): wrapper (7.9.26016): starting
23:19:48 (13988): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A02_0.pdb
QB_A12_A02_0.xml
QB_A12_A02.inpcrd
QB_A12_A02_input.yaml
QB_A12_A02.pdb
QB_A12_A02.prmtop
QB_A12_A02_sys.xml
run.bat
run.sh
23:19:51 (13988): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:19:51 (13988): 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\6\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\6\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.
10:57:12 (13564): wrapper (7.9.26016): starting
10:57:12 (13564): 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\6\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\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\6\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\6\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
    return self._worker_getenergy()
           ^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
    state = self.simulation.context.getState(getEnergy = True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\6\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
15:20:02 (13564): C:/Windows/system32/cmd.exe exited; CPU time 15048.031250
15:20:02 (13564): app exit status: 0x16
15:20:02 (13564): 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: 188553160 bytes.
Dumping objects ->
{1538} normal block at 0x00000229D224C240, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1527} normal block at 0x00000229D224BEC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1516} normal block at 0x00000229D224BFA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1505} normal block at 0x00000229D224C320, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1494} normal block at 0x00000229D224C080, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1463} normal block at 0x00000229D2235EA0, 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) : {1450} normal block at 0x00000229D22479F0, 8 bytes long.
 Data: <  " )   > 00 00 22 D2 29 02 00 00 
{299} normal block at 0x00000229D2247040, 8 bytes long.
 Data: < 3% )   > F0 33 25 D2 29 02 00 00 
{290} normal block at 0x00000229D223A620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000229D2247EF0, 16 bytes long.
 Data: <X+% )           > 58 2B 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000229D2247950, 16 bytes long.
 Data: <0+% )           > 30 2B 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000229D224D440, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000229D22476D0, 16 bytes long.
 Data: < +% )           > 08 2B 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000229D2247180, 16 bytes long.
 Data: < *% )           > E0 2A 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000229D22472C0, 16 bytes long.
 Data: < *% )           > B8 2A 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000229D2247270, 16 bytes long.
 Data: < *% )           > 90 2A 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000229D224C550, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000229D2247CC0, 16 bytes long.
 Data: <  # )           > 18 BA 23 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229D224DFE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000229D2247A40, 16 bytes long.
 Data: <  # )           > F0 B9 23 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229D2247130, 16 bytes long.
 Data: <  # )           > C8 B9 23 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000229D2247D60, 16 bytes long.
 Data: <  # )           > A0 B9 23 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000229D2247680, 16 bytes long.
 Data: <x # )           > 78 B9 23 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000229D224CC70, 16 bytes long.
 Data: <P # )           > 50 B9 23 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000229D224C770, 16 bytes long.
 Data: <( # )           > 28 B9 23 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000229D224E220, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000229D224CC20, 16 bytes long.
 Data: <  # )           > 00 B9 23 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000229D223B900, 320 bytes long.
 Data: <  $ )     $ )   > 20 CC 24 D2 29 02 00 00 20 E2 24 D2 29 02 00 00 
{269} normal block at 0x00000229D224CBD0, 16 bytes long.
 Data: <p*% )           > 70 2A 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000229D224CB80, 16 bytes long.
 Data: <H*% )           > 48 2A 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000229D224E040, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000229D224C6D0, 16 bytes long.
 Data: < *% )           > 20 2A 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000229D224DB00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000229D224CB30, 16 bytes long.
 Data: <h)% )           > 68 29 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000229D224CE00, 16 bytes long.
 Data: <@)% )           > 40 29 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000229D224C950, 16 bytes long.
 Data: < )% )           > 18 29 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229D224CDB0, 16 bytes long.
 Data: < (% )           > F0 28 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000229D224CD60, 16 bytes long.
 Data: < (% )           > C8 28 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000229D224CA90, 16 bytes long.
 Data: < (% )           > A0 28 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000229D224C720, 16 bytes long.
 Data: <  $ )           > C0 C5 24 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000229D224C5C0, 40 bytes long.
 Data: <  $ )    ^# )   > 20 C7 24 D2 29 02 00 00 A0 5E 23 D2 29 02 00 00 
{255} normal block at 0x00000229D224C7C0, 16 bytes long.
 Data: < (% )           > 80 28 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000229D224CCC0, 16 bytes long.
 Data: <X(% )           > 58 28 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000229D224E280, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000229D224C810, 16 bytes long.
 Data: <0(% )           > 30 28 25 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000229D2252830, 992 bytes long.
 Data: <  $ )     $ )   > 10 C8 24 D2 29 02 00 00 80 E2 24 D2 29 02 00 00 
{87} normal block at 0x00000229D224D8C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000229D2247630, 16 bytes long.
 Data: <  $ )           > E0 C4 24 D2 29 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000229D224C4E0, 40 bytes long.
 Data: <0v$ )     $ )   > 30 76 24 D2 29 02 00 00 C0 D8 24 D2 29 02 00 00 
{64} normal block at 0x00000229D2247BD0, 16 bytes long.
 Data: <   D            > 80 EA F6 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000229D2247C20, 16 bytes long.
 Data: <@  D            > 40 E9 F6 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000229D2247E00, 16 bytes long.
 Data: < W D            > F8 57 F3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000229D2247A90, 16 bytes long.
 Data: < W D            > D8 57 F3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000229D2247770, 16 bytes long.
 Data: <P  D            > 50 04 F3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000229D22474F0, 16 bytes long.
 Data: <0  D            > 30 04 F3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000229D2247B80, 16 bytes long.
 Data: <   D            > E0 02 F3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000229D2247B30, 16 bytes long.
 Data: <   D            > 10 04 F3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000229D2246FA0, 16 bytes long.
 Data: <p  D            > 70 04 F3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000229D22479A0, 16 bytes long.
 Data: <   D            > 18 C0 F1 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

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