Task 38637273

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:24:55 (24156): wrapper (7.9.26016): starting
12:24:55 (24156): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A08_0.pdb
QB_A26_A08_0.xml
QB_A26_A08.inpcrd
QB_A26_A08_input.yaml
QB_A26_A08.pdb
QB_A26_A08.prmtop
QB_A26_A08_sys.xml
run.bat
run.sh
12:24:56 (24156): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:24:56 (24156): 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\60\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\60\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\60\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\60\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\60\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\60\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\60\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\60\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\60\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
    return self._worker_getenergy()
           ^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\60\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
    state = self.simulation.context.getState(getEnergy = True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\60\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
12:27:31 (24156): C:/Windows/system32/cmd.exe exited; CPU time 140.671875
12:27:31 (24156): app exit status: 0x16
12:27:31 (24156): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 3304127 bytes.
Dumping objects ->
{3835280} normal block at 0x000002886334D3F0, 48 bytes long.
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{3835269} normal block at 0x000002886334D540, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x0000028861584D40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x0000028861584CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000028861584BF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x0000028863393FA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000288615DC390, 140 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) : {3835191} normal block at 0x000002886157D2B0, 8 bytes long.
 Data: <  &#184;a    > 00 00 B8 61 88 02 00 00 
{3834571} normal block at 0x00000288615DB0E0, 140 bytes long.
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{3833965} normal block at 0x000002886157DFD0, 8 bytes long.
 Data: <&#176;&#216;Va    > B0 D8 56 61 88 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000028861570DB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000288615720C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000028861585C20, 16 bytes long.
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{297} normal block at 0x0000028861585B80, 16 bytes long.
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{296} normal block at 0x000002886157F980, 32 bytes long.
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{295} normal block at 0x0000028861585AE0, 16 bytes long.
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{294} normal block at 0x0000028861585E50, 16 bytes long.
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{293} normal block at 0x0000028861586080, 16 bytes long.
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{292} normal block at 0x0000028861586120, 16 bytes long.
 Data: <@iXa            > 40 69 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028861584AA0, 48 bytes long.
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{290} normal block at 0x0000028861585A90, 16 bytes long.
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{289} normal block at 0x000002886157FF20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000028861585A40, 16 bytes long.
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{286} normal block at 0x0000028861585D10, 16 bytes long.
 Data: < &#243;Va            > 88 F3 56 61 88 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028861586030, 16 bytes long.
 Data: <`&#243;Va            > 60 F3 56 61 88 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000288615863F0, 16 bytes long.
 Data: <8&#243;Va            > 38 F3 56 61 88 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028861585900, 16 bytes long.
 Data: < &#243;Va            > 10 F3 56 61 88 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000288615857C0, 16 bytes long.
 Data: <&#232;&#242;Va            > E8 F2 56 61 88 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002886157FF80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000028861586490, 16 bytes long.
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{279} normal block at 0x000002886156F2C0, 320 bytes long.
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{278} normal block at 0x0000028861585770, 16 bytes long.
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{277} normal block at 0x00000288615861C0, 16 bytes long.
 Data: <&#248;hXa            > F8 68 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002886157FE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000028861586670, 16 bytes long.
 Data: <&#208;hXa            > D0 68 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002886157F8C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000028861586620, 16 bytes long.
 Data: < hXa            > 18 68 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028861585CC0, 16 bytes long.
 Data: <&#240;gXa            > F0 67 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000288615858B0, 16 bytes long.
 Data: <&#200;gXa            > C8 67 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000288615859F0, 16 bytes long.
 Data: <&#160;gXa            > A0 67 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028861586530, 16 bytes long.
 Data: <xgXa            > 78 67 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028861586350, 16 bytes long.
 Data: <PgXa            > 50 67 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028861585EF0, 16 bytes long.
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{265} normal block at 0x0000028861584B10, 40 bytes long.
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{264} normal block at 0x00000288615864E0, 16 bytes long.
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{263} normal block at 0x0000028861585720, 16 bytes long.
 Data: < gXa            > 08 67 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002886157F740, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000288615859A0, 16 bytes long.
 Data: <&#224;fXa            > E0 66 58 61 88 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000288615866E0, 992 bytes long.
 Data: <&#160;YXa    @&#247;Wa    > A0 59 58 61 88 02 00 00 40 F7 57 61 88 02 00 00 
{96} normal block at 0x00000288615803A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002886157D530, 16 bytes long.
 Data: <P&#194;Va            > 50 C2 56 61 88 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002886156C250, 40 bytes long.
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{73} normal block at 0x000002886157D7B0, 16 bytes long.
 Data: < &#234;&#225; &#247;           > 80 EA E1 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002886157DF80, 16 bytes long.
 Data: <@&#233;&#225; &#247;           > 40 E9 E1 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002886157D760, 16 bytes long.
 Data: <&#248;W&#222; &#247;           > F8 57 DE 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002886157D580, 16 bytes long.
 Data: <&#216;W&#222; &#247;           > D8 57 DE 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002886157DA80, 16 bytes long.
 Data: <P &#222; &#247;           > 50 04 DE 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002886157D710, 16 bytes long.
 Data: <0 &#222; &#247;           > 30 04 DE 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002886157D6C0, 16 bytes long.
 Data: <&#224; &#222; &#247;           > E0 02 DE 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002886157DF30, 16 bytes long.
 Data: <  &#222; &#247;           > 10 04 DE 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002886157E110, 16 bytes long.
 Data: <p &#222; &#247;           > 70 04 DE 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002886157DC10, 16 bytes long.
 Data: < &#192;&#220; &#247;           > 18 C0 DC 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

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