Task 38596134

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
04:11:42 (70644): wrapper (7.9.26016): starting
04:11:42 (70644): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A03_0.pdb
QB_A08_A03_0.xml
QB_A08_A03.inpcrd
QB_A08_A03_input.yaml
QB_A08_A03.pdb
QB_A08_A03.prmtop
QB_A08_A03_sys.xml
run.bat
run.sh
04:11:43 (70644): Library/usr/bin/tar.exe exited; CPU time 0.046875
04:11:43 (70644): 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\32\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\32\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\32\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\32\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\32\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\32\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\32\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\32\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\32\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
    return self._worker_getenergy()
           ^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\32\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
    state = self.simulation.context.getState(getEnergy = True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\32\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
04:12:44 (70644): C:/Windows/system32/cmd.exe exited; CPU time 0.031250
04:12:44 (70644): app exit status: 0x16
04:12:44 (70644): 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: 657081 bytes.
Dumping objects ->
{3835511} normal block at 0x0000025CFA424DB0, 48 bytes long.
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{3835500} normal block at 0x0000025CFA424D40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000025CFA425440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835478} normal block at 0x0000025CFA4253D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x0000025CFA425360, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835436} normal block at 0x0000025CFC0DB1C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835425} normal block at 0x0000025CFC0EEF30, 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) : {3835421} normal block at 0x0000025CFA41DC50, 8 bytes long.
 Data: <  :&#250;\   > 00 00 3A FA 5C 02 00 00 
{3834680} normal block at 0x0000025CFC0EEBC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000025CFA41D480, 8 bytes long.
 Data: < I &#252;\   > 00 49 16 FC 5C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025CFA4114D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025CFA412600, 80 bytes long.
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{296} normal block at 0x0000025CFA4257D0, 16 bytes long.
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{295} normal block at 0x0000025CFA425F00, 16 bytes long.
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{294} normal block at 0x0000025CFA421090, 32 bytes long.
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{293} normal block at 0x0000025CFA426270, 16 bytes long.
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{292} normal block at 0x0000025CFA426450, 16 bytes long.
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{291} normal block at 0x0000025CFA425C30, 16 bytes long.
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{290} normal block at 0x0000025CFA426400, 16 bytes long.
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{289} normal block at 0x0000025CFA424FE0, 48 bytes long.
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{288} normal block at 0x0000025CFA425B40, 16 bytes long.
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{287} normal block at 0x0000025CFA420E50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000025CFA425AF0, 16 bytes long.
 Data: <0 A&#250;\           > 30 08 41 FA 5C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025CFA425910, 16 bytes long.
 Data: <  A&#250;\           > 08 08 41 FA 5C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025CFA425A00, 16 bytes long.
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{282} normal block at 0x0000025CFA4255F0, 16 bytes long.
 Data: <&#184; A&#250;\           > B8 07 41 FA 5C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025CFA4263B0, 16 bytes long.
 Data: <  A&#250;\           > 90 07 41 FA 5C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025CFA4259B0, 16 bytes long.
 Data: <h A&#250;\           > 68 07 41 FA 5C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025CFA421150, 32 bytes long.
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{278} normal block at 0x0000025CFA426180, 16 bytes long.
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{277} normal block at 0x0000025CFA410740, 320 bytes long.
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{276} normal block at 0x0000025CFA425D20, 16 bytes long.
 Data: <PgB&#250;\           > 50 67 42 FA 5C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025CFA426360, 16 bytes long.
 Data: <(gB&#250;\           > 28 67 42 FA 5C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025CFA4219F0, 32 bytes long.
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{273} normal block at 0x0000025CFA425730, 16 bytes long.
 Data: < gB&#250;\           > 00 67 42 FA 5C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025CFA420F10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000025CFA425550, 16 bytes long.
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{270} normal block at 0x0000025CFA4256E0, 16 bytes long.
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{269} normal block at 0x0000025CFA425BE0, 16 bytes long.
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{268} normal block at 0x0000025CFA4255A0, 16 bytes long.
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{267} normal block at 0x0000025CFA425960, 16 bytes long.
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{266} normal block at 0x0000025CFA4258C0, 16 bytes long.
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{264} normal block at 0x0000025CFA425820, 16 bytes long.
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{263} normal block at 0x0000025CFA425130, 40 bytes long.
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{262} normal block at 0x0000025CFA426310, 16 bytes long.
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{261} normal block at 0x0000025CFA425B90, 16 bytes long.
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{260} normal block at 0x0000025CFA421A50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000025CFA425E10, 16 bytes long.
 Data: < eB&#250;\           > 10 65 42 FA 5C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025CFA426510, 992 bytes long.
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{94} normal block at 0x0000025CFA4216F0, 32 bytes long.
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{93} normal block at 0x0000025CFA41D7F0, 16 bytes long.
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{92} normal block at 0x0000025CFA40EF60, 40 bytes long.
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{71} normal block at 0x0000025CFA41D520, 16 bytes long.
 Data: < &#234;&#242; &#247;           > 80 EA F2 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025CFA41D700, 16 bytes long.
 Data: <@&#233;&#242; &#247;           > 40 E9 F2 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025CFA41D3E0, 16 bytes long.
 Data: <&#248;W&#239; &#247;           > F8 57 EF 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025CFA41D7A0, 16 bytes long.
 Data: <&#216;W&#239; &#247;           > D8 57 EF 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025CFA41DFC0, 16 bytes long.
 Data: <P &#239; &#247;           > 50 04 EF 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025CFA41D390, 16 bytes long.
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{65} normal block at 0x0000025CFA41D930, 16 bytes long.
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{64} normal block at 0x0000025CFA41D340, 16 bytes long.
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{63} normal block at 0x0000025CFA41D750, 16 bytes long.
 Data: <p &#239; &#247;           > 70 04 EF 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025CFA41D250, 16 bytes long.
 Data: < &#192;&#237; &#247;           > 18 C0 ED 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

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