Task 38596109

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
���ϵͳ�޷����� (null)��
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:13:31 (40256): wrapper (7.9.26016): starting
19:13:31 (40256): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A05_0.pdb
QB_A12_A05_0.xml
QB_A12_A05.inpcrd
QB_A12_A05_input.yaml
QB_A12_A05.pdb
QB_A12_A05.prmtop
QB_A12_A05_sys.xml
run.bat
run.sh
19:13:35 (40256): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:13:35 (40256): 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\5\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\5\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\5\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\5\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\5\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
    return self._worker_getenergy()
           ^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
    state = self.simulation.context.getState(getEnergy = True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\5\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
19:14:55 (40256): C:/Windows/system32/cmd.exe exited; CPU time 44.750000
19:14:55 (40256): app exit status: 0x16
19:14:55 (40256): 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: 809935 bytes.
Dumping objects ->
{3835515} normal block at 0x0000029AECE90530, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835504} normal block at 0x0000029AECE90450, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835493} normal block at 0x0000029AECE903E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835482} normal block at 0x0000029AECE90AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835471} normal block at 0x0000029AECE90A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835440} normal block at 0x0000029AEED49AF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x0000029AECEB5220, 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) : {3835425} normal block at 0x0000029AECE86AA0, 8 bytes long.
 Data: <        > 00 00 92 EE 9A 02 00 00 
{3834705} normal block at 0x0000029AECEB5150, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834021} normal block at 0x0000029AECE85F60, 8 bytes long.
 Data: <p       > 70 FD E8 EC 9A 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000029AECE8A6C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029AECE7CB20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000029AECE91190, 16 bytes long.
 Data: < %              > 08 25 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029AECE91910, 16 bytes long.
 Data: < $              > E0 24 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029AECE8B650, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000029AECE91370, 16 bytes long.
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{283} normal block at 0x0000029AECE912D0, 16 bytes long.
 Data: < $              > 90 24 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029AECE91A50, 16 bytes long.
 Data: <h$              > 68 24 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029AECE91460, 16 bytes long.
 Data: <@$              > 40 24 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029AECE904C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000029AECE91B40, 16 bytes long.
 Data: <                > B8 C7 E7 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029AECE8BB30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000029AECE91050, 16 bytes long.
 Data: <                > 90 C7 E7 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029AECE918C0, 16 bytes long.
 Data: <h               > 68 C7 E7 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029AECE91C30, 16 bytes long.
 Data: <@               > 40 C7 E7 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029AECE90FB0, 16 bytes long.
 Data: <                > 18 C7 E7 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029AECE91A00, 16 bytes long.
 Data: <                > F0 C6 E7 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029AECE90F60, 16 bytes long.
 Data: <                > C8 C6 E7 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029AECE8B050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000029AECE91780, 16 bytes long.
 Data: <                > A0 C6 E7 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029AECE7C6A0, 320 bytes long.
 Data: <        P       > 80 17 E9 EC 9A 02 00 00 50 B0 E8 EC 9A 02 00 00 
{267} normal block at 0x0000029AECE919B0, 16 bytes long.
 Data: < $              > 20 24 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029AECE90F10, 16 bytes long.
 Data: < #              > F8 23 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029AECE8B8F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000029AECE91730, 16 bytes long.
 Data: < #              > D0 23 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029AECE8AFF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000029AECE90E20, 16 bytes long.
 Data: < #              > 18 23 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029AECE91D70, 16 bytes long.
 Data: < "              > F0 22 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029AECE910A0, 16 bytes long.
 Data: < "              > C8 22 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029AECE91280, 16 bytes long.
 Data: < "              > A0 22 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029AECE91D20, 16 bytes long.
 Data: <x"              > 78 22 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029AECE91140, 16 bytes long.
 Data: <P"              > 50 22 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000029AECE91550, 16 bytes long.
 Data: < 	              > 90 09 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000029AECE90990, 40 bytes long.
 Data: <P               > 50 15 E9 EC 9A 02 00 00 F0 9A D4 EE 9A 02 00 00 
{253} normal block at 0x0000029AECE91CD0, 16 bytes long.
 Data: <0"              > 30 22 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000029AECE90EC0, 16 bytes long.
 Data: < "              > 08 22 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000029AECE8B890, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000029AECE90E70, 16 bytes long.
 Data: < !              > E0 21 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000029AECE921E0, 992 bytes long.
 Data: <p               > 70 0E E9 EC 9A 02 00 00 90 B8 E8 EC 9A 02 00 00 
{85} normal block at 0x0000029AECE8B7D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000029AECE85D80, 16 bytes long.
 Data: < 	              > 20 09 E9 EC 9A 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000029AECE90920, 40 bytes long.
 Data: < ]              > 80 5D E8 EC 9A 02 00 00 D0 B7 E8 EC 9A 02 00 00 
{60} normal block at 0x0000029AECE866E0, 16 bytes long.
 Data: <                > 80 EA 99 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029AECE85C90, 16 bytes long.
 Data: <@               > 40 E9 99 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000029AECE862D0, 16 bytes long.
 Data: < W              > F8 57 96 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000029AECE86730, 16 bytes long.
 Data: < W              > D8 57 96 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000029AECE863C0, 16 bytes long.
 Data: <P               > 50 04 96 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000029AECE86A50, 16 bytes long.
 Data: <0               > 30 04 96 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000029AECE865F0, 16 bytes long.
 Data: <                > E0 02 96 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000029AECE85CE0, 16 bytes long.
 Data: <                > 10 04 96 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000029AECE85BF0, 16 bytes long.
 Data: <p               > 70 04 96 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x0000029AECE86000, 16 bytes long.
 Data: <                > 18 C0 94 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

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