Task 38617677

Name hif2a_2_A28_A15_r0_3-QUICO_ATM_OpenFF_NAGL_hif2a_2-1-6-RND6066_0
Workunit 31569295
Created 18 Apr 2026, 6:23:48 UTC
Sent 18 Apr 2026, 6:24:00 UTC
Report deadline 23 Apr 2026, 6:24:00 UTC
Received 18 Apr 2026, 7:37:29 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 646098
Run time 1 hours 4 min 41 sec
CPU time 59 min 59 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 21,610.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 482.30 MB
Peak swap size 8.09 GB
Peak disk usage 3.75 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:33:30 (35320): wrapper (7.9.26016): starting
00:33:30 (35320): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A15_0.pdb
QB_A28_A15_0.xml
QB_A28_A15.inpcrd
QB_A28_A15_input.yaml
QB_A28_A15.pdb
QB_A28_A15.prmtop
QB_A28_A15_sys.xml
run.bat
run.sh
00:33:31 (35320): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:33:31 (35320): 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\0\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\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\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\0\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\0\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_ILLEGAL_ADDRESS (700)
01:36:09 (35320): C:/Windows/system32/cmd.exe exited; CPU time 3599.843750
01:36:09 (35320): app exit status: 0x16
01:36:09 (35320): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 78228505 bytes.
Dumping objects ->
{3835481} normal block at 0x000001393D003A90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x000001393D003710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x000001393D002DE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x000001393D002FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x000001393D003390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x000001393D001170, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835393} normal block at 0x000001393B2CEC90, 8 bytes long.
 Data: <  );9   > 00 00 29 3B 39 01 00 00 
{3833959} normal block at 0x000001393B2CE650, 8 bytes long.
 Data: < &#235;:;9   > 00 EB 3A 3B 39 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001393B2C16C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001393B2C32D0, 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 0x000001393B2D7290, 16 bytes long.
 Data: < x-;9           > 08 78 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001393B2D6700, 16 bytes long.
 Data: <&#224;w-;9           > E0 77 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001393B2D2810, 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 0x000001393B2D6D90, 16 bytes long.
 Data: <&#184;w-;9           > B8 77 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001393B2D67A0, 16 bytes long.
 Data: < w-;9           > 90 77 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001393B2D68E0, 16 bytes long.
 Data: <hw-;9           > 68 77 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001393B2D6A70, 16 bytes long.
 Data: <@w-;9           > 40 77 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001393B2D5130, 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 0x000001393B2D6890, 16 bytes long.
 Data: <&#232;&,;9           > E8 26 2C 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001393B2D26F0, 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 0x000001393B2D6C50, 16 bytes long.
 Data: <&#192;&,;9           > C0 26 2C 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001393B2D7240, 16 bytes long.
 Data: < &,;9           > 98 26 2C 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001393B2D6F70, 16 bytes long.
 Data: <p&,;9           > 70 26 2C 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001393B2D6B10, 16 bytes long.
 Data: <H&,;9           > 48 26 2C 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001393B2D70B0, 16 bytes long.
 Data: < &,;9           > 20 26 2C 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001393B2D71F0, 16 bytes long.
 Data: <&#248;%,;9           > F8 25 2C 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001393B2D25D0, 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 0x000001393B2D6520, 16 bytes long.
 Data: <&#208;%,;9           > D0 25 2C 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001393B2C25D0, 320 bytes long.
 Data: < e-;9   &#208;%-;9   > 20 65 2D 3B 39 01 00 00 D0 25 2D 3B 39 01 00 00 
{275} normal block at 0x000001393B2D6750, 16 bytes long.
 Data: < w-;9           > 20 77 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001393B2D6D40, 16 bytes long.
 Data: <&#248;v-;9           > F8 76 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001393B2D1BB0, 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 0x000001393B2D6B60, 16 bytes long.
 Data: <&#208;v-;9           > D0 76 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001393B2D1AF0, 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 0x000001393B2D6CA0, 16 bytes long.
 Data: < v-;9           > 18 76 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001393B2D7420, 16 bytes long.
 Data: <&#240;u-;9           > F0 75 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001393B2D66B0, 16 bytes long.
 Data: <&#200;u-;9           > C8 75 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001393B2D6F20, 16 bytes long.
 Data: <&#160;u-;9           > A0 75 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001393B2D7470, 16 bytes long.
 Data: <xu-;9           > 78 75 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001393B2D6660, 16 bytes long.
 Data: <Pu-;9           > 50 75 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001393B2D6DE0, 16 bytes long.
 Data: <&#224;O-;9           > E0 4F 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001393B2D4FE0, 40 bytes long.
 Data: <&#224;m-;9   p  =9   > E0 6D 2D 3B 39 01 00 00 70 11 00 3D 39 01 00 00 
{261} normal block at 0x000001393B2D69D0, 16 bytes long.
 Data: <0u-;9           > 30 75 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001393B2D6610, 16 bytes long.
 Data: < u-;9           > 08 75 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001393B2D1EB0, 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 0x000001393B2D65C0, 16 bytes long.
 Data: <&#224;t-;9           > E0 74 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001393B2D74E0, 992 bytes long.
 Data: <&#192;e-;9   &#176; -;9   > C0 65 2D 3B 39 01 00 00 B0 1E 2D 3B 39 01 00 00 
{93} normal block at 0x000001393B2D2630, 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 0x000001393B2CE9C0, 16 bytes long.
 Data: < R-;9           > 10 52 2D 3B 39 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001393B2D5210, 40 bytes long.
 Data: <&#192;&#233;,;9   0&-;9   > C0 E9 2C 3B 39 01 00 00 30 26 2D 3B 39 01 00 00 
{70} normal block at 0x000001393B2CEA60, 16 bytes long.
 Data: < &#234; &#239;&#247;           > 80 EA 8F EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001393B2CE4C0, 16 bytes long.
 Data: <@&#233; &#239;&#247;           > 40 E9 8F EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001393B2CEA10, 16 bytes long.
 Data: <&#248;W&#140;&#239;&#247;           > F8 57 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001393B2CE2E0, 16 bytes long.
 Data: <&#216;W&#140;&#239;&#247;           > D8 57 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001393B2CEB00, 16 bytes long.
 Data: <P &#140;&#239;&#247;           > 50 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001393B2CE7E0, 16 bytes long.
 Data: <0 &#140;&#239;&#247;           > 30 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001393B2CE790, 16 bytes long.
 Data: <&#224; &#140;&#239;&#247;           > E0 02 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001393B2CEC40, 16 bytes long.
 Data: <  &#140;&#239;&#247;           > 10 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001393B2CEB50, 16 bytes long.
 Data: <p &#140;&#239;&#247;           > 70 04 8C EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001393B2CE6A0, 16 bytes long.
 Data: < &#192;&#138;&#239;&#247;           > 18 C0 8A EF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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