Task 38664862

Name test_334-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND9453_0
Workunit 31607987
Created 25 Oct 2026, 0:16:56 UTC
Sent 25 Oct 2026, 0:17:02 UTC
Report deadline 30 Oct 2026, 0:17:02 UTC
Received 25 Oct 2026, 2:37:43 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 654134
Run time 33 min 1 sec
CPU time 29 min 57 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 13,827.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 603.41 MB
Peak swap size 6.88 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:04:50 (46788): wrapper (7.9.26016): starting
20:04:50 (46788): 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
20:04:52 (46788): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:04:52 (46788): 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_OUT_OF_MEMORY (2)
20:36:29 (46788): C:/Windows/system32/cmd.exe exited; CPU time 1797.671875
20:36:29 (46788): app exit status: 0x16
20:36:29 (46788): 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: 45667361 bytes.
Dumping objects ->
{3835490} normal block at 0x0000022A4C756730, 48 bytes long.
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{3835479} normal block at 0x0000022A4C7566C0, 48 bytes long.
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{3835468} normal block at 0x0000022A4C756650, 48 bytes long.
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{3835457} normal block at 0x0000022A4C756C00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x0000022A4C756C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x0000022A4E3BB310, 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) : {3835402} normal block at 0x0000022A4C74ED20, 8 bytes long.
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{3833961} normal block at 0x0000022A4C74F090, 8 bytes long.
 Data: <p`uL*   > 70 60 75 4C 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022A4C753190, 260 bytes long.
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{297} normal block at 0x0000022A4C7479E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000022A4C756F60, 16 bytes long.
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{295} normal block at 0x0000022A4C757820, 16 bytes long.
 Data: <@ uL*           > 40 80 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022A4C750AE0, 32 bytes long.
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{293} normal block at 0x0000022A4C757780, 16 bytes long.
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{292} normal block at 0x0000022A4C757730, 16 bytes long.
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{291} normal block at 0x0000022A4C757690, 16 bytes long.
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{290} normal block at 0x0000022A4C7570F0, 16 bytes long.
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{289} normal block at 0x0000022A4C756810, 48 bytes long.
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{288} normal block at 0x0000022A4C7576E0, 16 bytes long.
 Data: < &#187;sL*           > 88 BB 73 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022A4C7512C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000022A4C756DD0, 16 bytes long.
 Data: <`&#187;sL*           > 60 BB 73 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A4C757B40, 16 bytes long.
 Data: <8&#187;sL*           > 38 BB 73 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A4C7575A0, 16 bytes long.
 Data: < &#187;sL*           > 10 BB 73 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A4C757550, 16 bytes long.
 Data: <&#232;&#186;sL*           > E8 BA 73 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A4C757500, 16 bytes long.
 Data: <&#192;&#186;sL*           > C0 BA 73 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022A4C757AF0, 16 bytes long.
 Data: < &#186;sL*           > 98 BA 73 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022A4C750BA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000022A4C757460, 16 bytes long.
 Data: <p&#186;sL*           > 70 BA 73 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A4C73BA70, 320 bytes long.
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{276} normal block at 0x0000022A4C757640, 16 bytes long.
 Data: <  uL*           > 80 7F 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022A4C7572D0, 16 bytes long.
 Data: <X uL*           > 58 7F 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022A4C751500, 32 bytes long.
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{273} normal block at 0x0000022A4C757410, 16 bytes long.
 Data: <0 uL*           > 30 7F 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022A4C750D20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000022A4C756F10, 16 bytes long.
 Data: <x~uL*           > 78 7E 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A4C7575F0, 16 bytes long.
 Data: <P~uL*           > 50 7E 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A4C757280, 16 bytes long.
 Data: <(~uL*           > 28 7E 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A4C7571E0, 16 bytes long.
 Data: < ~uL*           > 00 7E 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022A4C757190, 16 bytes long.
 Data: <&#216;}uL*           > D8 7D 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A4C7574B0, 16 bytes long.
 Data: <&#176;}uL*           > B0 7D 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022A4C757370, 16 bytes long.
 Data: <`iuL*           > 60 69 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A4C756960, 40 bytes long.
 Data: <psuL*    &#179;;N*   > 70 73 75 4C 2A 02 00 00 10 B3 3B 4E 2A 02 00 00 
{262} normal block at 0x0000022A4C757AA0, 16 bytes long.
 Data: < }uL*           > 90 7D 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022A4C756D80, 16 bytes long.
 Data: <h}uL*           > 68 7D 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022A4C750900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000022A4C757A50, 16 bytes long.
 Data: <@}uL*           > 40 7D 75 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022A4C757D40, 992 bytes long.
 Data: <PzuL*    	uL*   > 50 7A 75 4C 2A 02 00 00 00 09 75 4C 2A 02 00 00 
{94} normal block at 0x0000022A4C750C00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000022A4C74F400, 16 bytes long.
 Data: <P&#217;sL*           > 50 D9 73 4C 2A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022A4C73D950, 40 bytes long.
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{71} normal block at 0x0000022A4C74EAA0, 16 bytes long.
 Data: < &#234;&#132;&#195;&#247;           > 80 EA 84 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022A4C74E870, 16 bytes long.
 Data: <@&#233;&#132;&#195;&#247;           > 40 E9 84 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022A4C74EE10, 16 bytes long.
 Data: <&#248;W &#195;&#247;           > F8 57 81 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A4C74F1D0, 16 bytes long.
 Data: <&#216;W &#195;&#247;           > D8 57 81 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A4C74EF00, 16 bytes long.
 Data: <P  &#195;&#247;           > 50 04 81 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A4C74EA50, 16 bytes long.
 Data: <0  &#195;&#247;           > 30 04 81 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A4C74E960, 16 bytes long.
 Data: <&#224;  &#195;&#247;           > E0 02 81 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A4C74F540, 16 bytes long.
 Data: <   &#195;&#247;           > 10 04 81 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022A4C74EB40, 16 bytes long.
 Data: <p  &#195;&#247;           > 70 04 81 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022A4C74E820, 16 bytes long.
 Data: < &#192; &#195;&#247;           > 18 C0 7F C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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