Task 38688693

Name test_80-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6853_0
Workunit 31630017
Created 28 Oct 2026, 15:37:50 UTC
Sent 28 Oct 2026, 15:37:58 UTC
Report deadline 2 Nov 2026, 15:37:58 UTC
Received 28 Oct 2026, 16:10:49 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652307
Run time 30 min 56 sec
CPU time 29 min 42 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,409.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 879.94 MB
Peak swap size 9.82 GB
Peak disk usage 3.53 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
(null) nelze spustit.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:40:26 (18032): wrapper (7.9.26016): starting
16:40:26 (18032): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
16:40:28 (18032): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:40:28 (18032): 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\2\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\2\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\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\2\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\2\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\2\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_UNKNOWN (999)
17:09:46 (18032): C:/Windows/system32/cmd.exe exited; CPU time 1782.281250
17:09:46 (18032): app exit status: 0x16
17:09:46 (18032): 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: 27069659 bytes.
Dumping objects ->
{3835372} normal block at 0x0000021073375C10, 48 bytes long.
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{3835361} normal block at 0x0000021073375900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x0000021073375BA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835339} normal block at 0x0000021073375D60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835328} normal block at 0x0000021073375B30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835297} normal block at 0x0000021075248080, 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) : {3835284} normal block at 0x000002107336DD60, 8 bytes long.
 Data: <  &#138;s    > 00 00 8A 73 10 02 00 00 
{3833953} normal block at 0x000002107336E080, 8 bytes long.
 Data: <P3*u    > 50 33 2A 75 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000210733704B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002107335EE80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000021073375020, 16 bytes long.
 Data: <&#184;W7s            > B8 57 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021073374800, 16 bytes long.
 Data: < W7s            > 90 57 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002107336F5C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000021073374C10, 16 bytes long.
 Data: <hW7s            > 68 57 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021073374F30, 16 bytes long.
 Data: <@W7s            > 40 57 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021073374BC0, 16 bytes long.
 Data: < W7s            > 18 57 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000210733748F0, 16 bytes long.
 Data: <&#240;V7s            > F0 56 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021073375E40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000210733741C0, 16 bytes long.
 Data: <&#248;&#219;6s            > F8 DB 36 73 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002107336F320, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000210733743F0, 16 bytes long.
 Data: <&#208;&#219;6s            > D0 DB 36 73 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000210733744E0, 16 bytes long.
 Data: <&#168;&#219;6s            > A8 DB 36 73 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021073374990, 16 bytes long.
 Data: < &#219;6s            > 80 DB 36 73 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000210733747B0, 16 bytes long.
 Data: <X&#219;6s            > 58 DB 36 73 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000210733748A0, 16 bytes long.
 Data: <0&#219;6s            > 30 DB 36 73 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021073374B70, 16 bytes long.
 Data: < &#219;6s            > 08 DB 36 73 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002107336F140, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000210733743A0, 16 bytes long.
 Data: <&#224;&#218;6s            > E0 DA 36 73 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002107336DAE0, 320 bytes long.
 Data: <&#160;C7s    @&#241;6s    > A0 43 37 73 10 02 00 00 40 F1 36 73 10 02 00 00 
{272} normal block at 0x0000021073374DF0, 16 bytes long.
 Data: <&#208;V7s            > D0 56 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021073374B20, 16 bytes long.
 Data: <&#168;V7s            > A8 56 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002107336F3E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000021073374AD0, 16 bytes long.
 Data: < V7s            > 80 56 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002107336F0E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000021073374FD0, 16 bytes long.
 Data: <&#200;U7s            > C8 55 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021073374940, 16 bytes long.
 Data: <&#160;U7s            > A0 55 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021073374210, 16 bytes long.
 Data: <xU7s            > 78 55 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021073374EE0, 16 bytes long.
 Data: <PU7s            > 50 55 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021073374760, 16 bytes long.
 Data: <(U7s            > 28 55 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021073374F80, 16 bytes long.
 Data: < U7s            > 00 55 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021073374A80, 16 bytes long.
 Data: <  6s            > 20 04 36 73 10 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021073360420, 40 bytes long.
 Data: < J7s      $u    > 80 4A 37 73 10 02 00 00 80 80 24 75 10 02 00 00 
{258} normal block at 0x0000021073374A30, 16 bytes long.
 Data: <&#224;T7s            > E0 54 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000210733749E0, 16 bytes long.
 Data: <&#184;T7s            > B8 54 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002107336F2C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000210733745D0, 16 bytes long.
 Data: < T7s            > 90 54 37 73 10 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021073375490, 992 bytes long.
 Data: <&#208;E7s    &#192;&#242;6s    > D0 45 37 73 10 02 00 00 C0 F2 36 73 10 02 00 00 
{90} normal block at 0x000002107336ED80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002107336E850, 16 bytes long.
 Data: <&#224;&#192;5s            > E0 C0 35 73 10 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002107335C0E0, 40 bytes long.
 Data: <P&#232;6s     &#237;6s    > 50 E8 36 73 10 02 00 00 80 ED 36 73 10 02 00 00 
{67} normal block at 0x000002107336E8A0, 16 bytes long.
 Data: < &#234;?\&#246;           > 80 EA 3F 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002107336E490, 16 bytes long.
 Data: <@&#233;?\&#246;           > 40 E9 3F 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002107336DF40, 16 bytes long.
 Data: <&#248;W<\&#246;           > F8 57 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002107336E440, 16 bytes long.
 Data: <&#216;W<\&#246;           > D8 57 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002107336E760, 16 bytes long.
 Data: <P <\&#246;           > 50 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002107336EC60, 16 bytes long.
 Data: <0 <\&#246;           > 30 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002107336E7B0, 16 bytes long.
 Data: <&#224; <\&#246;           > E0 02 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002107336DFE0, 16 bytes long.
 Data: <  <\&#246;           > 10 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002107336E3A0, 16 bytes long.
 Data: <p <\&#246;           > 70 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002107336E8F0, 16 bytes long.
 Data: < &#192;:\&#246;           > 18 C0 3A 5C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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