Task 38683975

Name test_572-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1562_0
Workunit 31625507
Created 27 Oct 2026, 14:09:42 UTC
Sent 27 Oct 2026, 14:09:45 UTC
Report deadline 1 Nov 2026, 14:09:45 UTC
Received 27 Oct 2026, 14:53:16 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 602698
Run time 38 min 33 sec
CPU time 36 min 38 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 7,952.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.36 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:11:36 (10096): wrapper (7.9.26016): starting
15:11:36 (10096): 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
15:11:38 (10096): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:11:38 (10096): 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 'D:\BOINC\slots\8\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 'D:\BOINC\slots\8\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 "D:\BOINC\slots\8\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
    (pos,vel) = job['openmm_worker'].get_posvel()
                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\8\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
15:48:31 (10096): C:/Windows/system32/cmd.exe exited; CPU time 2198.953125
15:48:31 (10096): app exit status: 0x16
15:48:31 (10096): called boinc_finish(195)
0 bytes in 0 Free Blocks.
458 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: 32430335 bytes.
Dumping objects ->
{3835229} normal block at 0x0000020E0A051480, 48 bytes long.
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{3835218} normal block at 0x0000020E0A193C30, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835207} normal block at 0x0000020E0A193F90, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835196} normal block at 0x0000020E0A193BD0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835185} normal block at 0x0000020E0A193C90, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835154} normal block at 0x0000020E0A050920, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835143} normal block at 0x0000020E086BCDD0, 141 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) : {3835140} normal block at 0x0000020E08667020, 8 bytes long.
 Data: <  _     > 00 00 5F 08 0E 02 00 00 
{3834534} normal block at 0x0000020E086BC270, 141 bytes long.
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{3833941} normal block at 0x0000020E08667200, 8 bytes long.
 Data: <`&#192;      > 60 C0 15 0A 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000020E086724E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020E0865E1E0, 80 bytes long.
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{286} normal block at 0x0000020E08674060, 16 bytes long.
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{285} normal block at 0x0000020E08673CF0, 16 bytes long.
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{284} normal block at 0x0000020E0866CEF0, 32 bytes long.
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{283} normal block at 0x0000020E08674330, 16 bytes long.
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{282} normal block at 0x0000020E08673FC0, 16 bytes long.
 Data: <&#160;Fg             > A0 46 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020E08673B60, 16 bytes long.
 Data: <xFg             > 78 46 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020E08674100, 16 bytes long.
 Data: <PFg             > 50 46 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020E0866BE10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000020E08673F20, 16 bytes long.
 Data: <H[e             > 48 5B 65 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020E0866D190, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000020E08673930, 16 bytes long.
 Data: < [e             > 20 5B 65 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020E08673A20, 16 bytes long.
 Data: <&#248;Ze             > F8 5A 65 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020E08673BB0, 16 bytes long.
 Data: <&#208;Ze             > D0 5A 65 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020E08673570, 16 bytes long.
 Data: <&#168;Ze             > A8 5A 65 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020E086736B0, 16 bytes long.
 Data: < Ze             > 80 5A 65 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020E08673520, 16 bytes long.
 Data: <XZe             > 58 5A 65 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020E0866CE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000020E08674380, 16 bytes long.
 Data: <0Ze             > 30 5A 65 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020E08655A30, 320 bytes long.
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{266} normal block at 0x0000020E08674290, 16 bytes long.
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{265} normal block at 0x0000020E086737F0, 16 bytes long.
 Data: < Fg             > 08 46 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020E0866D490, 32 bytes long.
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{263} normal block at 0x0000020E086740B0, 16 bytes long.
 Data: <&#224;Eg             > E0 45 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020E0866DA30, 32 bytes long.
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{261} normal block at 0x0000020E086741F0, 16 bytes long.
 Data: <(Eg             > 28 45 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020E086741A0, 16 bytes long.
 Data: < Eg             > 00 45 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020E086739D0, 16 bytes long.
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{258} normal block at 0x0000020E08673C50, 16 bytes long.
 Data: <&#176;Dg             > B0 44 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020E08673660, 16 bytes long.
 Data: < Dg             > 88 44 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020E08673F70, 16 bytes long.
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{254} normal block at 0x0000020E08673D40, 16 bytes long.
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{253} normal block at 0x0000020E0866BDA0, 40 bytes long.
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{252} normal block at 0x0000020E08673ED0, 16 bytes long.
 Data: <@Dg             > 40 44 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020E08674010, 16 bytes long.
 Data: < Dg             > 18 44 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020E0866D670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000020E08673E80, 16 bytes long.
 Data: <&#240;Cg             > F0 43 67 08 0E 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000020E086743F0, 992 bytes long.
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{84} normal block at 0x0000020E0866D070, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000020E086677A0, 16 bytes long.
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{82} normal block at 0x0000020E0866BD30, 40 bytes long.
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{61} normal block at 0x0000020E086671B0, 16 bytes long.
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{60} normal block at 0x0000020E08667070, 16 bytes long.
 Data: <@&#233;q8&#247;           > 40 E9 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020E08666E40, 16 bytes long.
 Data: <&#248;Wn8&#247;           > F8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020E086675C0, 16 bytes long.
 Data: <&#216;Wn8&#247;           > D8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020E08667570, 16 bytes long.
 Data: <P n8&#247;           > 50 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020E08666F30, 16 bytes long.
 Data: <0 n8&#247;           > 30 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020E08666DA0, 16 bytes long.
 Data: <&#224; n8&#247;           > E0 02 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020E08667930, 16 bytes long.
 Data: <  n8&#247;           > 10 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000020E086676B0, 16 bytes long.
 Data: <p n8&#247;           > 70 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000020E08667660, 16 bytes long.
 Data: < &#192;l8&#247;           > 18 C0 6C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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