Task 38609518

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
21:44:05 (13104): wrapper (7.9.26016): starting
21:44:05 (13104): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A09_0.pdb
QB_A04_A09_0.xml
QB_A04_A09.inpcrd
QB_A04_A09_input.yaml
QB_A04_A09.pdb
QB_A04_A09.prmtop
QB_A04_A09_sys.xml
run.bat
run.sh
21:44:06 (13104): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:44:06 (13104): 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\2\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\2\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.
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\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\Boinc\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\Boinc\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\Boinc\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\Boinc\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\Boinc\slots\2\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\2\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
    return self._worker_getenergy()
           ^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\Boinc\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
    state = self.simulation.context.getState(getEnergy = True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\Boinc\slots\2\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
02:51:56 (13104): C:/Windows/system32/cmd.exe exited; CPU time 18773.250000
02:51:56 (13104): app exit status: 0x16
02:51:56 (13104): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 212636897 bytes.
Dumping objects ->
{3835314} normal block at 0x0000023290706770, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x0000023290706700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x00000232907065B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x0000023290706690, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x0000023290706540, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x00000232923CA600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000232923DFBF0, 102 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) : {3835225} normal block at 0x00000232906FF080, 8 bytes long.
 Data: <  &#175; 2   > 00 00 AF 90 32 02 00 00 
{3834574} normal block at 0x00000232923E0220, 102 bytes long.
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{3833957} normal block at 0x00000232906FF440, 8 bytes long.
 Data: <&#176;HB&#146;2   > B0 48 42 92 32 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000232906F2710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000232906F34A0, 80 bytes long.
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{294} normal block at 0x0000023290707700, 16 bytes long.
 Data: <8 p 2           > 38 80 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023290707C00, 16 bytes long.
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{292} normal block at 0x0000023290703440, 32 bytes long.
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{291} normal block at 0x0000023290707610, 16 bytes long.
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{290} normal block at 0x0000023290706D50, 16 bytes long.
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{289} normal block at 0x00000232907072A0, 16 bytes long.
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{288} normal block at 0x0000023290706E40, 16 bytes long.
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{287} normal block at 0x0000023290706C40, 48 bytes long.
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{286} normal block at 0x0000023290706DF0, 16 bytes long.
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{285} normal block at 0x00000232907027E0, 32 bytes long.
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{284} normal block at 0x0000023290707070, 16 bytes long.
 Data: <@$p 2           > 40 24 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023290706FD0, 16 bytes long.
 Data: < $p 2           > 18 24 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023290707BB0, 16 bytes long.
 Data: <&#240;#p 2           > F0 23 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000232907075C0, 16 bytes long.
 Data: <&#200;#p 2           > C8 23 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023290707B60, 16 bytes long.
 Data: <&#160;#p 2           > A0 23 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000232907077F0, 16 bytes long.
 Data: <x#p 2           > 78 23 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023290703380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000232907074D0, 16 bytes long.
 Data: <P#p 2           > 50 23 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023290702350, 320 bytes long.
 Data: <&#208;tp 2    3p 2   > D0 74 70 90 32 02 00 00 80 33 70 90 32 02 00 00 
{274} normal block at 0x0000023290707020, 16 bytes long.
 Data: <P p 2           > 50 7F 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023290707AC0, 16 bytes long.
 Data: <( p 2           > 28 7F 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023290702A80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000023290707480, 16 bytes long.
 Data: <  p 2           > 00 7F 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000232907031A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000023290707A70, 16 bytes long.
 Data: <H~p 2           > 48 7E 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023290707430, 16 bytes long.
 Data: < ~p 2           > 20 7E 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023290707200, 16 bytes long.
 Data: <&#248;}p 2           > F8 7D 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000232907079D0, 16 bytes long.
 Data: <&#208;}p 2           > D0 7D 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023290707930, 16 bytes long.
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{264} normal block at 0x00000232907073E0, 16 bytes long.
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{262} normal block at 0x0000023290707980, 16 bytes long.
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{261} normal block at 0x00000232907067E0, 40 bytes long.
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{260} normal block at 0x00000232907071B0, 16 bytes long.
 Data: <`}p 2           > 60 7D 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023290707CA0, 16 bytes long.
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{258} normal block at 0x00000232907032C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000023290707750, 16 bytes long.
 Data: < }p 2           > 10 7D 70 90 32 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023290707D10, 992 bytes long.
 Data: <Pwp 2   &#192;2p 2   > 50 77 70 90 32 02 00 00 C0 32 70 90 32 02 00 00 
{92} normal block at 0x0000023290702720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000232906FF5D0, 16 bytes long.
 Data: <&#176; o 2           > B0 1F 6F 90 32 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000232906F1FB0, 40 bytes long.
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{69} normal block at 0x00000232906FF940, 16 bytes long.
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{68} normal block at 0x00000232906FF8F0, 16 bytes long.
 Data: <@&#233;W&#210;&#247;           > 40 E9 57 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000232906FEC70, 16 bytes long.
 Data: <&#248;WT&#210;&#247;           > F8 57 54 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000232906FEFE0, 16 bytes long.
 Data: <&#216;WT&#210;&#247;           > D8 57 54 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000232906FEEA0, 16 bytes long.
 Data: <P T&#210;&#247;           > 50 04 54 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000232906FEF90, 16 bytes long.
 Data: <0 T&#210;&#247;           > 30 04 54 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000232906FFBC0, 16 bytes long.
 Data: <&#224; T&#210;&#247;           > E0 02 54 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000232906FF210, 16 bytes long.
 Data: <  T&#210;&#247;           > 10 04 54 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000232906FF9E0, 16 bytes long.
 Data: <p T&#210;&#247;           > 70 04 54 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000232906FFB20, 16 bytes long.
 Data: < &#192;R&#210;&#247;           > 18 C0 52 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

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