Task 38621123

Name hif2a_A20_A19_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-3-6-RND2657_3
Workunit 31571404
Created 19 Apr 2026, 21:31:16 UTC
Sent 19 Apr 2026, 21:31:23 UTC
Report deadline 24 Apr 2026, 21:31:23 UTC
Received 19 Apr 2026, 21:56:56 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 646098
Run time 23 min 39 sec
CPU time 20 min 24 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 458.74 MB
Peak swap size 8.06 GB
Peak disk usage 2.87 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>
15:33:22 (33280): wrapper (7.9.26016): starting
15:33:22 (33280): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A19_0.pdb
QB_A20_A19_0.xml
QB_A20_A19.inpcrd
QB_A20_A19_input.yaml
QB_A20_A19.pdb
QB_A20_A19.prmtop
QB_A20_A19_sys.xml
run.bat
run.sh
15:33:23 (33280): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:33:23 (33280): 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)
15:55:07 (33280): C:/Windows/system32/cmd.exe exited; CPU time 1224.125000
15:55:07 (33280): app exit status: 0x16
15:55:07 (33280): 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: 26810525 bytes.
Dumping objects ->
{3835481} normal block at 0x0000027BD03E9710, 48 bytes long.
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{3835470} normal block at 0x0000027BD03E8DE0, 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 0x0000027BD03E9940, 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 0x0000027BD03E9860, 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 0x0000027BD03E9240, 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 0x0000027BD030E0A0, 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 0x0000027BCE5BE930, 8 bytes long.
 Data: <  &#171;&#206;{   > 00 00 AB CE 7B 02 00 00 
{3833959} normal block at 0x0000027BCE5BE4D0, 8 bytes long.
 Data: <&#208;&#218;Z&#206;{   > D0 DA 5A CE 7B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000027BCE5B1B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027BCE5B2FE0, 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 0x0000027BCE5C6800, 16 bytes long.
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{294} normal block at 0x0000027BCE5C6C60, 16 bytes long.
 Data: < w\&#206;{           > 00 77 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027BCE5C23D0, 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 0x0000027BCE5C66C0, 16 bytes long.
 Data: <&#216;v\&#206;{           > D8 76 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027BCE5C7250, 16 bytes long.
 Data: <&#176;v\&#206;{           > B0 76 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027BCE5C6A80, 16 bytes long.
 Data: < v\&#206;{           > 88 76 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027BCE5C71B0, 16 bytes long.
 Data: <`v\&#206;{           > 60 76 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027BCE5C4CD0, 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 0x0000027BCE5C6D50, 16 bytes long.
 Data: <h&#184;Z&#206;{           > 68 B8 5A CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027BCE5C2670, 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 0x0000027BCE5C67B0, 16 bytes long.
 Data: <@&#184;Z&#206;{           > 40 B8 5A CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027BCE5C7020, 16 bytes long.
 Data: < &#184;Z&#206;{           > 18 B8 5A CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027BCE5C6670, 16 bytes long.
 Data: <&#240;&#183;Z&#206;{           > F0 B7 5A CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027BCE5C6440, 16 bytes long.
 Data: <&#200;&#183;Z&#206;{           > C8 B7 5A CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027BCE5C6940, 16 bytes long.
 Data: <&#160;&#183;Z&#206;{           > A0 B7 5A CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027BCE5C6C10, 16 bytes long.
 Data: <x&#183;Z&#206;{           > 78 B7 5A CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027BCE5C1DD0, 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 0x0000027BCE5C6990, 16 bytes long.
 Data: <P&#183;Z&#206;{           > 50 B7 5A CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027BCE5AB750, 320 bytes long.
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{275} normal block at 0x0000027BCE5C6620, 16 bytes long.
 Data: <@v\&#206;{           > 40 76 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027BCE5C6760, 16 bytes long.
 Data: < v\&#206;{           > 18 76 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027BCE5C2310, 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 0x0000027BCE5C7160, 16 bytes long.
 Data: <&#240;u\&#206;{           > F0 75 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027BCE5C24F0, 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 0x0000027BCE5C6DF0, 16 bytes long.
 Data: <8u\&#206;{           > 38 75 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027BCE5C65D0, 16 bytes long.
 Data: < u\&#206;{           > 10 75 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027BCE5C7390, 16 bytes long.
 Data: <&#232;t\&#206;{           > E8 74 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027BCE5C70C0, 16 bytes long.
 Data: <&#192;t\&#206;{           > C0 74 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027BCE5C72F0, 16 bytes long.
 Data: < t\&#206;{           > 98 74 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027BCE5C6710, 16 bytes long.
 Data: <pt\&#206;{           > 70 74 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027BCE5C6850, 16 bytes long.
 Data: <@M\&#206;{           > 40 4D 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027BCE5C4D40, 40 bytes long.
 Data: <Ph\&#206;{   &#160;&#224;0&#208;{   > 50 68 5C CE 7B 02 00 00 A0 E0 30 D0 7B 02 00 00 
{261} normal block at 0x0000027BCE5C68F0, 16 bytes long.
 Data: <Pt\&#206;{           > 50 74 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027BCE5C6AD0, 16 bytes long.
 Data: <(t\&#206;{           > 28 74 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027BCE5C1B90, 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 0x0000027BCE5C6F80, 16 bytes long.
 Data: < t\&#206;{           > 00 74 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027BCE5C7400, 992 bytes long.
 Data: < o\&#206;{     \&#206;{   > 80 6F 5C CE 7B 02 00 00 90 1B 5C CE 7B 02 00 00 
{93} normal block at 0x0000027BCE5C1A10, 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 0x0000027BCE5BEA20, 16 bytes long.
 Data: <`L\&#206;{           > 60 4C 5C CE 7B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000027BCE5C4C60, 40 bytes long.
 Data: < &#234;[&#206;{     \&#206;{   > 20 EA 5B CE 7B 02 00 00 10 1A 5C CE 7B 02 00 00 
{70} normal block at 0x0000027BCE5BE480, 16 bytes long.
 Data: < &#234; 8&#246;           > 80 EA 08 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027BCE5BE700, 16 bytes long.
 Data: <@&#233; 8&#246;           > 40 E9 08 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027BCE5BE840, 16 bytes long.
 Data: <&#248;W 8&#246;           > F8 57 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027BCE5BE430, 16 bytes long.
 Data: <&#216;W 8&#246;           > D8 57 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027BCE5BE750, 16 bytes long.
 Data: <P  8&#246;           > 50 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027BCE5BE980, 16 bytes long.
 Data: <0  8&#246;           > 30 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027BCE5BE7F0, 16 bytes long.
 Data: <&#224;  8&#246;           > E0 02 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027BCE5BE0C0, 16 bytes long.
 Data: <   8&#246;           > 10 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027BCE5BED90, 16 bytes long.
 Data: <p  8&#246;           > 70 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027BCE5BE070, 16 bytes long.
 Data: < &#192; 8&#246;           > 18 C0 03 38 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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