Task 38643130

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>
16:57:14 (16664): wrapper (7.9.26016): starting
16:57:14 (16664): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A09_0.pdb
QB_A20_A09_0.xml
QB_A20_A09.inpcrd
QB_A20_A09_input.yaml
QB_A20_A09.pdb
QB_A20_A09.prmtop
QB_A20_A09_sys.xml
run.bat
run.sh
16:57:18 (16664): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:57:18 (16664): 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 'D:\BOINC\slots\11\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 'D:\BOINC\slots\11\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 "D:\BOINC\slots\11\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC\slots\11\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "D:\BOINC\slots\11\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "D:\BOINC\slots\11\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "D:\BOINC\slots\11\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\11\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 212, in _update_replica
    pot = job['openmm_worker'].get_energy()
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\11\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
    return self._worker_getenergy()
           ^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\11\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
    state = self.simulation.context.getState(getEnergy = True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\11\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
17:00:32 (16664): C:/Windows/system32/cmd.exe exited; CPU time 149.015625
17:00:32 (16664): app exit status: 0x16
17:00:32 (16664): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 2892999 bytes.
Dumping objects ->
{3835540} normal block at 0x0000014D9DED75C0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835529} normal block at 0x0000014D9FC78820, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x0000014D9FC78C40, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835507} normal block at 0x0000014D9FC787C0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835496} normal block at 0x0000014D9FC78BE0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835465} normal block at 0x0000014D9DED7940, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835454} normal block at 0x0000014D9DF3C160, 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) : {3835451} normal block at 0x0000014D9DECC060, 8 bytes long.
 Data: <  @&#158;M   > 00 00 40 9E 4D 01 00 00 
{3834708} normal block at 0x0000014D9DF3BA10, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833973} normal block at 0x0000014D9DECB4D0, 8 bytes long.
 Data: <&#160;&#224;&#235; M   > A0 E0 EB 9D 4D 01 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000014D9DED28C0, 260 bytes long.
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{303} normal block at 0x0000014D9DEC71C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x0000014D9DED6600, 16 bytes long.
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{301} normal block at 0x0000014D9DED6BA0, 16 bytes long.
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{300} normal block at 0x0000014D9DECFF60, 32 bytes long.
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{299} normal block at 0x0000014D9DED67E0, 16 bytes long.
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{298} normal block at 0x0000014D9DED6C40, 16 bytes long.
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{297} normal block at 0x0000014D9DED5E80, 16 bytes long.
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{296} normal block at 0x0000014D9DED6AB0, 16 bytes long.
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{295} normal block at 0x0000014D9DED7C50, 48 bytes long.
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{294} normal block at 0x0000014D9DED6150, 16 bytes long.
 Data: <&#184; &#236; M           > B8 07 EC 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014D9DECF300, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x0000014D9DED5DE0, 16 bytes long.
 Data: <  &#236; M           > 90 07 EC 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014D9DED6100, 16 bytes long.
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{289} normal block at 0x0000014D9DED65B0, 16 bytes long.
 Data: <@ &#236; M           > 40 07 EC 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014D9DED6B50, 16 bytes long.
 Data: <  &#236; M           > 18 07 EC 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014D9DED62E0, 16 bytes long.
 Data: <&#240; &#236; M           > F0 06 EC 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014D9DED5D90, 16 bytes long.
 Data: <&#200; &#236; M           > C8 06 EC 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014D9DECF660, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x0000014D9DED6510, 16 bytes long.
 Data: <&#160; &#236; M           > A0 06 EC 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014D9DEC06A0, 320 bytes long.
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{282} normal block at 0x0000014D9DED6B00, 16 bytes long.
 Data: < s&#237; M           > 90 73 ED 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014D9DED6CE0, 16 bytes long.
 Data: <hs&#237; M           > 68 73 ED 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014D9DECF3C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x0000014D9DED6C90, 16 bytes long.
 Data: <@s&#237; M           > 40 73 ED 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014D9DECF480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x0000014D9DED60B0, 16 bytes long.
 Data: < r&#237; M           > 88 72 ED 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014D9DED6830, 16 bytes long.
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{275} normal block at 0x0000014D9DED6470, 16 bytes long.
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{274} normal block at 0x0000014D9DED6060, 16 bytes long.
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{273} normal block at 0x0000014D9DED66F0, 16 bytes long.
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{272} normal block at 0x0000014D9DED6BF0, 16 bytes long.
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{270} normal block at 0x0000014D9DED64C0, 16 bytes long.
 Data: < &#220;&#235; M           > 00 DC EB 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014D9DEBDC00, 40 bytes long.
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{268} normal block at 0x0000014D9DED5F70, 16 bytes long.
 Data: <&#160;q&#237; M           > A0 71 ED 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014D9DED66A0, 16 bytes long.
 Data: <xq&#237; M           > 78 71 ED 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014D9DECF2A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x0000014D9DED6650, 16 bytes long.
 Data: <Pq&#237; M           > 50 71 ED 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014D9DED7150, 992 bytes long.
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{100} normal block at 0x0000014D9DECFC00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x0000014D9DECBBB0, 16 bytes long.
 Data: < &#208;&#235; M           > 10 D0 EB 9D 4D 01 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x0000014D9DEBD010, 40 bytes long.
 Data: <&#176;&#187;&#236; M    &#252;&#236; M   > B0 BB EC 9D 4D 01 00 00 00 FC EC 9D 4D 01 00 00 
{77} normal block at 0x0000014D9DECB340, 16 bytes long.
 Data: < &#234;$:&#246;           > 80 EA 24 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000014D9DECB890, 16 bytes long.
 Data: <@&#233;$:&#246;           > 40 E9 24 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000014D9DECBCF0, 16 bytes long.
 Data: <&#248;W!:&#246;           > F8 57 21 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000014D9DECB700, 16 bytes long.
 Data: <&#216;W!:&#246;           > D8 57 21 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000014D9DECB610, 16 bytes long.
 Data: <P !:&#246;           > 50 04 21 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000014D9DECB480, 16 bytes long.
 Data: <0 !:&#246;           > 30 04 21 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000014D9DECBB60, 16 bytes long.
 Data: <&#224; !:&#246;           > E0 02 21 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000014D9DECB520, 16 bytes long.
 Data: <  !:&#246;           > 10 04 21 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000014D9DECB8E0, 16 bytes long.
 Data: <p !:&#246;           > 70 04 21 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014D9DECBD90, 16 bytes long.
 Data: < &#192; :&#246;           > 18 C0 1F 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

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