Task 38621593

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
 nelze spustit.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:34:15 (9668): wrapper (7.9.26016): starting
09:34:15 (9668): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A10_0.pdb
QB_A27_A10_0.xml
QB_A27_A10.inpcrd
QB_A27_A10_input.yaml
QB_A27_A10.pdb
QB_A27_A10.prmtop
QB_A27_A10_sys.xml
run.bat
run.sh
09:34:16 (9668): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:34:16 (9668): 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\1\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\1\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835379} normal block at 0x0000028B1DC4DB20, 8 bytes long.
 Data: <        > 00 00 BB 1D 8B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000028B1F9A51A0, 1080 bytes long.
 Data: < 8              > 08 38 00 00 CD CD CD CD EC 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000028B1DC415D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
10:44:14 (9580): wrapper (7.9.26016): starting
10:44:14 (9580): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x000002B09A135B10, 8 bytes long.
 Data: <  }     > 00 00 7D 9A B0 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002B09A136810, 1080 bytes long.
 Data: <XF              > 58 46 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
11:07:21 (17736): wrapper (7.9.26016): starting
11:07:21 (17736): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000013B7E2C7940, 8 bytes long.
 Data: <  w~;   > 00 00 77 7E 3B 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000013B7E2C8910, 1080 bytes long.
 Data: < F              > AC 46 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
11:59:05 (11260): wrapper (7.9.26016): starting
11:59:05 (11260): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x00000217EC227400, 8 bytes long.
 Data: <  p     > 00 00 70 EC 17 02 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000217EC227890, 1080 bytes long.
 Data: <lH              > 6C 48 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
13:18:06 (5404): wrapper (7.9.26016): starting
13:18:06 (5404): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
    self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
                               ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
    self._openmm_worker_body()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
    self.load_system()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
    self.system = XmlSerializer.deserialize(input.read())
                  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
    return XmlSerializer.deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
    return _openmm.XmlSerializer_deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
13:18:35 (5404): C:/Windows/system32/cmd.exe exited; CPU time 12.437500
13:18:35 (5404): app exit status: 0x16
13:18:35 (5404): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 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: 327420 bytes.
Dumping objects ->
{1814} normal block at 0x000001EC49400330, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1803} normal block at 0x000001EC494004F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1792} normal block at 0x000001EC49400480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1781} normal block at 0x000001EC494002C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1770} normal block at 0x000001EC494006B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1739} normal block at 0x000001EC49400A10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1728} normal block at 0x000001EC493EDFD0, 180 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) : {1725} normal block at 0x000001EC49406010, 8 bytes long.
 Data: <   I    > 00 00 89 49 EC 01 00 00 
{1007} normal block at 0x000001EC493ED340, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{305} normal block at 0x000001EC49405CF0, 8 bytes long.
 Data: < h@I    > 10 68 40 49 EC 01 00 00 
{296} normal block at 0x000001EC493F22F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001EC49405570, 16 bytes long.
 Data: < g@I            > 18 67 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EC49405B10, 16 bytes long.
 Data: < f@I            > F0 66 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EC49400BA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001EC49405AC0, 16 bytes long.
 Data: < f@I            > C8 66 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EC49405A20, 16 bytes long.
 Data: < f@I            > A0 66 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EC49406330, 16 bytes long.
 Data: <xf@I            > 78 66 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EC494059D0, 16 bytes long.
 Data: <Pf@I            > 50 66 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EC49400250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001EC49405F20, 16 bytes long.
 Data: <x >I            > 78 B5 3E 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EC49400AE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001EC49405FC0, 16 bytes long.
 Data: <P >I            > 50 B5 3E 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EC49406100, 16 bytes long.
 Data: <( >I            > 28 B5 3E 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EC49406060, 16 bytes long.
 Data: <  >I            > 00 B5 3E 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EC49405980, 16 bytes long.
 Data: <  >I            > D8 B4 3E 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EC494058E0, 16 bytes long.
 Data: <  >I            > B0 B4 3E 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EC49405840, 16 bytes long.
 Data: <  >I            > 88 B4 3E 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EC49400F60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001EC49405ED0, 16 bytes long.
 Data: <` >I            > 60 B4 3E 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EC493EB460, 320 bytes long.
 Data: < ^@I    ` @I    > D0 5E 40 49 EC 01 00 00 60 0F 40 49 EC 01 00 00 
{275} normal block at 0x000001EC49405890, 16 bytes long.
 Data: <0f@I            > 30 66 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EC49405BB0, 16 bytes long.
 Data: < f@I            > 08 66 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EC49401680, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001EC49405E80, 16 bytes long.
 Data: < e@I            > E0 65 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EC49401980, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001EC494057F0, 16 bytes long.
 Data: <(e@I            > 28 65 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EC494057A0, 16 bytes long.
 Data: < e@I            > 00 65 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EC49405750, 16 bytes long.
 Data: < d@I            > D8 64 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EC49405610, 16 bytes long.
 Data: < d@I            > B0 64 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EC49405F70, 16 bytes long.
 Data: < d@I            > 88 64 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EC49405E30, 16 bytes long.
 Data: <`d@I            > 60 64 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EC49405DE0, 16 bytes long.
 Data: <P @I            > 50 09 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EC49400950, 40 bytes long.
 Data: < ]@I      @I    > E0 5D 40 49 EC 01 00 00 10 0A 40 49 EC 01 00 00 
{261} normal block at 0x000001EC49405CA0, 16 bytes long.
 Data: <@d@I            > 40 64 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EC494061F0, 16 bytes long.
 Data: < d@I            > 18 64 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EC494018C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001EC494062E0, 16 bytes long.
 Data: < c@I            > F0 63 40 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EC494063F0, 992 bytes long.
 Data: < b@I      @I    > E0 62 40 49 EC 01 00 00 C0 18 40 49 EC 01 00 00 
{93} normal block at 0x000001EC494016E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001EC493FD710, 16 bytes long.
 Data: <  >I            > 80 EA 3E 49 EC 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001EC493EEA80, 40 bytes long.
 Data: <  ?I      @I    > 10 D7 3F 49 EC 01 00 00 E0 16 40 49 EC 01 00 00 
{70} normal block at 0x000001EC493FD800, 16 bytes long.
 Data: <                > 80 EA 09 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EC493FDB70, 16 bytes long.
 Data: <@               > 40 E9 09 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EC493FD210, 16 bytes long.
 Data: < W              > F8 57 06 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EC493FD1C0, 16 bytes long.
 Data: < W              > D8 57 06 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EC493FDFD0, 16 bytes long.
 Data: <P               > 50 04 06 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EC493FDA30, 16 bytes long.
 Data: <0               > 30 04 06 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EC493FD170, 16 bytes long.
 Data: <                > E0 02 06 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EC493FD120, 16 bytes long.
 Data: <                > 10 04 06 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EC493FDF80, 16 bytes long.
 Data: <p               > 70 04 06 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EC493FD3A0, 16 bytes long.
 Data: <                > 18 C0 04 9E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

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