Task 38628168

Name JNK1_RE_A15_A20_r0_4-QUICO_ATM_GAFF2_NAGL_JNK1_RE-1-6-RND3432_0
Workunit 31577866
Created 24 Apr 2026, 16:35:08 UTC
Sent 24 Apr 2026, 16:35:51 UTC
Report deadline 29 Apr 2026, 16:35:51 UTC
Received 24 Apr 2026, 16:44:26 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652220
Run time 6 min 33 sec
CPU time 5 min 9 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 4,511.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 584.22 MB
Peak swap size 8.12 GB
Peak disk usage 3.04 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
System operacyjny nie mo�e uruchomi� (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:37:24 (12936): wrapper (7.9.26016): starting
18:37:24 (12936): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A20_0.pdb
QB_A15_A20_0.xml
QB_A15_A20.inpcrd
QB_A15_A20_input.yaml
QB_A15_A20.pdb
QB_A15_A20.prmtop
QB_A15_A20_sys.xml
run.bat
run.sh
18:37:26 (12936): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:37:26 (12936): 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\12\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\12\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\12\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
    (pos,vel) = job['openmm_worker'].get_posvel()
                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
18:43:06 (12936): C:/Windows/system32/cmd.exe exited; CPU time 309.453125
18:43:06 (12936): app exit status: 0x16
18:43:06 (12936): 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: 5622375 bytes.
Dumping objects ->
{3835276} normal block at 0x000001D7A1E9A080, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001D7A1E9A0F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000001D7A1E9A320, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x000001D7A1E99B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001D7A1E9A400, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x000001D7A3C36680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001D7A1ECE7F0, 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) : {3835187} normal block at 0x000001D7A1E6E5A0, 8 bytes long.
 Data: <  4 &#215;   > 00 00 34 A2 D7 01 00 00 
{3834573} normal block at 0x000001D7A1ECEB30, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000001D7A1E6E0A0, 8 bytes long.
 Data: <&#192;Q&#201;&#163;&#215;   > C0 51 C9 A3 D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001D7A1E61540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D7A1E621E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001D7A1E76F40, 16 bytes long.
 Data: <&#248;u&#231; &#215;           > F8 75 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D7A1E76680, 16 bytes long.
 Data: <&#208;u&#231; &#215;           > D0 75 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D7A1E70E00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001D7A1E76360, 16 bytes long.
 Data: <&#168;u&#231; &#215;           > A8 75 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D7A1E765E0, 16 bytes long.
 Data: < u&#231; &#215;           > 80 75 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D7A1E769F0, 16 bytes long.
 Data: <Xu&#231; &#215;           > 58 75 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D7A1E764F0, 16 bytes long.
 Data: <0u&#231; &#215;           > 30 75 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D7A1E72110, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001D7A1E77120, 16 bytes long.
 Data: <&#232;&#248;&#229; &#215;           > E8 F8 E5 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D7A1E706E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001D7A1E76A40, 16 bytes long.
 Data: <&#192;&#248;&#229; &#215;           > C0 F8 E5 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D7A1E76310, 16 bytes long.
 Data: < &#248;&#229; &#215;           > 98 F8 E5 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D7A1E77260, 16 bytes long.
 Data: <p&#248;&#229; &#215;           > 70 F8 E5 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D7A1E76CC0, 16 bytes long.
 Data: <H&#248;&#229; &#215;           > 48 F8 E5 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D7A1E771C0, 16 bytes long.
 Data: < &#248;&#229; &#215;           > 20 F8 E5 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D7A1E76720, 16 bytes long.
 Data: <&#248;&#247;&#229; &#215;           > F8 F7 E5 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D7A1E71040, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001D7A1E77170, 16 bytes long.
 Data: <&#208;&#247;&#229; &#215;           > D0 F7 E5 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D7A1E5F7D0, 320 bytes long.
 Data: <pq&#231; &#215;   @ &#231; &#215;   > 70 71 E7 A1 D7 01 00 00 40 10 E7 A1 D7 01 00 00 
{279} normal block at 0x000001D7A1E76C20, 16 bytes long.
 Data: < u&#231; &#215;           > 10 75 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D7A1E76BD0, 16 bytes long.
 Data: <&#232;t&#231; &#215;           > E8 74 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D7A1E707A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001D7A1E76EF0, 16 bytes long.
 Data: <&#192;t&#231; &#215;           > C0 74 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D7A1E71160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001D7A1E76B30, 16 bytes long.
 Data: < t&#231; &#215;           > 08 74 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D7A1E764A0, 16 bytes long.
 Data: <&#224;s&#231; &#215;           > E0 73 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D7A1E76860, 16 bytes long.
 Data: <&#184;s&#231; &#215;           > B8 73 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D7A1E767C0, 16 bytes long.
 Data: < s&#231; &#215;           > 90 73 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D7A1E76E00, 16 bytes long.
 Data: <hs&#231; &#215;           > 68 73 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D7A1E76E50, 16 bytes long.
 Data: <@s&#231; &#215;           > 40 73 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D7A1E76590, 16 bytes long.
 Data: < %&#231; &#215;           > 00 25 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D7A1E72500, 40 bytes long.
 Data: < e&#231; &#215;    f&#195;&#163;&#215;   > 90 65 E7 A1 D7 01 00 00 80 66 C3 A3 D7 01 00 00 
{265} normal block at 0x000001D7A1E76EA0, 16 bytes long.
 Data: < s&#231; &#215;           > 20 73 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D7A1E770D0, 16 bytes long.
 Data: <&#248;r&#231; &#215;           > F8 72 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D7A1E70F80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001D7A1E76630, 16 bytes long.
 Data: <&#208;r&#231; &#215;           > D0 72 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D7A1E772D0, 992 bytes long.
 Data: <0f&#231; &#215;     &#231; &#215;   > 30 66 E7 A1 D7 01 00 00 80 0F E7 A1 D7 01 00 00 
{97} normal block at 0x000001D7A1E70680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001D7A1E6E3C0, 16 bytes long.
 Data: <P&&#231; &#215;           > 50 26 E7 A1 D7 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001D7A1E72650, 40 bytes long.
 Data: <&#192;&#227;&#230; &#215;     &#231; &#215;   > C0 E3 E6 A1 D7 01 00 00 80 06 E7 A1 D7 01 00 00 
{74} normal block at 0x000001D7A1E6DEC0, 16 bytes long.
 Data: < &#234;?Q&#246;           > 80 EA 3F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D7A1E6E870, 16 bytes long.
 Data: <@&#233;?Q&#246;           > 40 E9 3F 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D7A1E6E910, 16 bytes long.
 Data: <&#248;W<Q&#246;           > F8 57 3C 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D7A1E6E370, 16 bytes long.
 Data: <&#216;W<Q&#246;           > D8 57 3C 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D7A1E6E320, 16 bytes long.
 Data: <P <Q&#246;           > 50 04 3C 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D7A1E6DFB0, 16 bytes long.
 Data: <0 <Q&#246;           > 30 04 3C 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D7A1E6E500, 16 bytes long.
 Data: <&#224; <Q&#246;           > E0 02 3C 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D7A1E6EA00, 16 bytes long.
 Data: <  <Q&#246;           > 10 04 3C 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D7A1E6E2D0, 16 bytes long.
 Data: <p <Q&#246;           > 70 04 3C 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D7A1E6DBF0, 16 bytes long.
 Data: < &#192;:Q&#246;           > 18 C0 3A 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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