Task 38628224

Name JNK1_RE_A05_A09_r0_3-QUICO_ATM_GAFF2_NAGL_JNK1_RE-1-6-RND8665_0
Workunit 31577907
Created 24 Apr 2026, 16:59:25 UTC
Sent 24 Apr 2026, 16:59:33 UTC
Report deadline 29 Apr 2026, 16:59:33 UTC
Received 24 Apr 2026, 17:05:31 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652220
Run time 3 min 54 sec
CPU time 2 min 28 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 618.17 MB
Peak swap size 8.15 GB
Peak disk usage 3.02 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>
19:00:36 (15200): wrapper (7.9.26016): starting
19:00:36 (15200): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A09_0.pdb
QB_A05_A09_0.xml
QB_A05_A09.inpcrd
QB_A05_A09_input.yaml
QB_A05_A09.pdb
QB_A05_A09.prmtop
QB_A05_A09_sys.xml
run.bat
run.sh
19:00:37 (15200): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:00:37 (15200): 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
19:03:39 (15200): C:/Windows/system32/cmd.exe exited; CPU time 148.828125
19:03:39 (15200): app exit status: 0x16
19:03:39 (15200): 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: 2764879 bytes.
Dumping objects ->
{3835276} normal block at 0x00000266B62AA490, 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 0x00000266B62A9E70, 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 0x00000266B62A9EE0, 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 0x00000266B62A9AF0, 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 0x00000266B62AA260, 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 0x00000266B804B840, 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 0x00000266B62DE820, 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 0x00000266B627E860, 8 bytes long.
 Data: <  "&#182;f   > 00 00 22 B6 66 02 00 00 
{3834573} normal block at 0x00000266B62DF2B0, 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 0x00000266B627DD20, 8 bytes long.
 Data: < R &#184;f   > 80 52 0A B8 66 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000266B6271040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000266B62726F0, 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 0x00000266B6286DC0, 16 bytes long.
 Data: <&#248;v(&#182;f           > F8 76 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000266B62864B0, 16 bytes long.
 Data: <&#208;v(&#182;f           > D0 76 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000266B6280860, 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 0x00000266B62870E0, 16 bytes long.
 Data: <&#168;v(&#182;f           > A8 76 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000266B6286960, 16 bytes long.
 Data: < v(&#182;f           > 80 76 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000266B6286A00, 16 bytes long.
 Data: <Xv(&#182;f           > 58 76 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000266B6286910, 16 bytes long.
 Data: <0v(&#182;f           > 30 76 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000266B62827D0, 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 0x00000266B6286CD0, 16 bytes long.
 Data: <&#184; (&#182;f           > B8 1F 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000266B6280560, 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 0x00000266B62865F0, 16 bytes long.
 Data: <  (&#182;f           > 90 1F 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000266B6287130, 16 bytes long.
 Data: <h (&#182;f           > 68 1F 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000266B62867D0, 16 bytes long.
 Data: <@ (&#182;f           > 40 1F 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000266B6286F00, 16 bytes long.
 Data: <  (&#182;f           > 18 1F 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000266B6286FF0, 16 bytes long.
 Data: <&#240; (&#182;f           > F0 1E 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000266B6286550, 16 bytes long.
 Data: <&#200; (&#182;f           > C8 1E 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000266B6280C80, 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 0x00000266B62868C0, 16 bytes long.
 Data: <&#160; (&#182;f           > A0 1E 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000266B6281EA0, 320 bytes long.
 Data: <&#192;h(&#182;f     (&#182;f   > C0 68 28 B6 66 02 00 00 80 0C 28 B6 66 02 00 00 
{279} normal block at 0x00000266B6286C80, 16 bytes long.
 Data: < v(&#182;f           > 10 76 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000266B6286870, 16 bytes long.
 Data: <&#232;u(&#182;f           > E8 75 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000266B6280BC0, 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 0x00000266B6286C30, 16 bytes long.
 Data: <&#192;u(&#182;f           > C0 75 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000266B6280440, 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 0x00000266B62871D0, 16 bytes long.
 Data: < u(&#182;f           > 08 75 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000266B6286FA0, 16 bytes long.
 Data: <&#224;t(&#182;f           > E0 74 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000266B62872C0, 16 bytes long.
 Data: <&#184;t(&#182;f           > B8 74 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000266B6286D20, 16 bytes long.
 Data: < t(&#182;f           > 90 74 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000266B6286D70, 16 bytes long.
 Data: <ht(&#182;f           > 68 74 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000266B62865A0, 16 bytes long.
 Data: <@t(&#182;f           > 40 74 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000266B6286500, 16 bytes long.
 Data: <@((&#182;f           > 40 28 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000266B6282840, 40 bytes long.
 Data: < e(&#182;f   @&#184; &#184;f   > 00 65 28 B6 66 02 00 00 40 B8 04 B8 66 02 00 00 
{265} normal block at 0x00000266B6287270, 16 bytes long.
 Data: < t(&#182;f           > 20 74 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000266B6286730, 16 bytes long.
 Data: <&#248;s(&#182;f           > F8 73 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000266B6280260, 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 0x00000266B6286BE0, 16 bytes long.
 Data: <&#208;s(&#182;f           > D0 73 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000266B62873D0, 992 bytes long.
 Data: <&#224;k(&#182;f   ` (&#182;f   > E0 6B 28 B6 66 02 00 00 60 02 28 B6 66 02 00 00 
{97} normal block at 0x00000266B62806E0, 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 0x00000266B627DC30, 16 bytes long.
 Data: <&#240;&(&#182;f           > F0 26 28 B6 66 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000266B62826F0, 40 bytes long.
 Data: <0&#220;'&#182;f   &#224; (&#182;f   > 30 DC 27 B6 66 02 00 00 E0 06 28 B6 66 02 00 00 
{74} normal block at 0x00000266B627DB90, 16 bytes long.
 Data: < &#234;&#148;:&#247;           > 80 EA 94 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000266B627DEB0, 16 bytes long.
 Data: <@&#233;&#148;:&#247;           > 40 E9 94 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000266B627DC80, 16 bytes long.
 Data: <&#248;W&#145;:&#247;           > F8 57 91 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000266B627E6D0, 16 bytes long.
 Data: <&#216;W&#145;:&#247;           > D8 57 91 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000266B627E680, 16 bytes long.
 Data: <P &#145;:&#247;           > 50 04 91 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000266B627DE60, 16 bytes long.
 Data: <0 &#145;:&#247;           > 30 04 91 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000266B627E310, 16 bytes long.
 Data: <&#224; &#145;:&#247;           > E0 02 91 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000266B627E630, 16 bytes long.
 Data: <  &#145;:&#247;           > 10 04 91 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000266B627E220, 16 bytes long.
 Data: <p &#145;:&#247;           > 70 04 91 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000266B627E5E0, 16 bytes long.
 Data: < &#192;&#143;:&#247;           > 18 C0 8F 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra