Task 38682369

Name test_284-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND4060_0
Workunit 31623986
Created 27 Oct 2026, 7:32:00 UTC
Sent 27 Oct 2026, 7:32:05 UTC
Report deadline 1 Nov 2026, 7:32:05 UTC
Received 27 Oct 2026, 7:52:58 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 602698
Run time 2 min 27 sec
CPU time 4 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 243.21 MB
Peak swap size 6.08 GB
Peak disk usage 3.76 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>
08:34:14 (1752): wrapper (7.9.26016): starting
08:34:14 (1752): 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
08:34:17 (1752): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:34:17 (1752): 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\9\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\9\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\9\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC\slots\9\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\9\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
    self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\9\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "D:\BOINC\slots\9\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
    self._openmm_worker_body()
  File "D:\BOINC\slots\9\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "D:\BOINC\slots\9\Lib\site-packages\atom_openmm\ommsystem.py", line 889, in create_system
    self.set_atmforce()
  File "D:\BOINC\slots\9\Lib\site-packages\atom_openmm\ommsystem.py", line 853, in set_atmforce
    self.add_forces_to_atmforce()
  File "D:\BOINC\slots\9\Lib\site-packages\atom_openmm\ommsystem.py", line 236, in add_forces_to_atmforce
    self.atmforce.addForce(copy.copy(self.system.getForce(i)))
                           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\9\Lib\copy.py", line 84, in copy
    return copier(x)
           ^^^^^^^^^
  File "D:\BOINC\slots\9\Lib\site-packages\openmm\openmm.py", line 1525, in __copy__
    duplicate = XmlSerializer.clone(self)
                ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\9\Lib\site-packages\openmm\openmm.py", line 19640, in clone
    return XmlSerializer._cloneForce(object)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\9\Lib\site-packages\openmm\openmm.py", line 19550, in _cloneForce
    return _openmm.XmlSerializer__cloneForce(object)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
08:34:55 (1752): C:/Windows/system32/cmd.exe exited; CPU time 4.421875
08:34:55 (1752): app exit status: 0x16
08:34:55 (1752): 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: 574465 bytes.
Dumping objects ->
{3835229} normal block at 0x000001A7BBF21170, 48 bytes long.
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{3835218} normal block at 0x000001A7BC0663F0, 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 0x000001A7BC066690, 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 0x000001A7BC065EB0, 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 0x000001A7BC065970, 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 0x000001A7BBF207D0, 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 0x000001A7BA37EF30, 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 0x000001A7BA327100, 8 bytes long.
 Data: <  .&#186;&#167;   > 00 00 2E BA A7 01 00 00 
{3834534} normal block at 0x000001A7BA37E160, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001A7BA3270B0, 8 bytes long.
 Data: < 4 &#188;&#167;   > 00 34 0A BC A7 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001A7BA332A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A7BA315BB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000001A7BA334160, 16 bytes long.
 Data: <&#200;L3&#186;&#167;           > C8 4C 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A7BA3347A0, 16 bytes long.
 Data: <&#160;L3&#186;&#167;           > A0 4C 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A7BA32C900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000001A7BA333E90, 16 bytes long.
 Data: <xL3&#186;&#167;           > 78 4C 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A7BA334890, 16 bytes long.
 Data: <PL3&#186;&#167;           > 50 4C 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A7BA333C60, 16 bytes long.
 Data: <(L3&#186;&#167;           > 28 4C 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A7BA334750, 16 bytes long.
 Data: < L3&#186;&#167;           > 00 4C 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A7BA32B370, 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 0x000001A7BA334200, 16 bytes long.
 Data: <H[1&#186;&#167;           > 48 5B 31 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A7BA32C7E0, 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 0x000001A7BA3343E0, 16 bytes long.
 Data: < [1&#186;&#167;           > 20 5B 31 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A7BA334700, 16 bytes long.
 Data: <&#248;Z1&#186;&#167;           > F8 5A 31 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A7BA3346B0, 16 bytes long.
 Data: <&#208;Z1&#186;&#167;           > D0 5A 31 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A7BA333C10, 16 bytes long.
 Data: <&#168;Z1&#186;&#167;           > A8 5A 31 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A7BA333BC0, 16 bytes long.
 Data: < Z1&#186;&#167;           > 80 5A 31 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A7BA334110, 16 bytes long.
 Data: <XZ1&#186;&#167;           > 58 5A 31 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A7BA32D500, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{268} normal block at 0x000001A7BA334520, 16 bytes long.
 Data: <0Z1&#186;&#167;           > 30 5A 31 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A7BA315A30, 320 bytes long.
 Data: < E3&#186;&#167;    &#213;2&#186;&#167;   > 20 45 33 BA A7 01 00 00 00 D5 32 BA A7 01 00 00 
{266} normal block at 0x000001A7BA334660, 16 bytes long.
 Data: <&#224;K3&#186;&#167;           > E0 4B 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A7BA3345C0, 16 bytes long.
 Data: <&#184;K3&#186;&#167;           > B8 4B 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A7BA32D440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000001A7BA334570, 16 bytes long.
 Data: < K3&#186;&#167;           > 90 4B 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A7BA32C600, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000001A7BA333FD0, 16 bytes long.
 Data: <&#216;J3&#186;&#167;           > D8 4A 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A7BA333F30, 16 bytes long.
 Data: <&#176;J3&#186;&#167;           > B0 4A 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A7BA3340C0, 16 bytes long.
 Data: < J3&#186;&#167;           > 88 4A 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A7BA333D50, 16 bytes long.
 Data: <`J3&#186;&#167;           > 60 4A 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A7BA333EE0, 16 bytes long.
 Data: <8J3&#186;&#167;           > 38 4A 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A7BA333B70, 16 bytes long.
 Data: < J3&#186;&#167;           > 10 4A 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001A7BA333B20, 16 bytes long.
 Data: <@&#184;2&#186;&#167;           > 40 B8 32 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A7BA32B840, 40 bytes long.
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{252} normal block at 0x000001A7BA334930, 16 bytes long.
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{251} normal block at 0x000001A7BA333AD0, 16 bytes long.
 Data: <&#200;I3&#186;&#167;           > C8 49 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001A7BA32CF60, 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 0x000001A7BA3339E0, 16 bytes long.
 Data: <&#160;I3&#186;&#167;           > A0 49 33 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001A7BA3349A0, 992 bytes long.
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{84} normal block at 0x000001A7BA32D3E0, 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 0x000001A7BA3269D0, 16 bytes long.
 Data: <0&#181;2&#186;&#167;           > 30 B5 32 BA A7 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001A7BA32B530, 40 bytes long.
 Data: <&#208;i2&#186;&#167;   &#224;&#211;2&#186;&#167;   > D0 69 32 BA A7 01 00 00 E0 D3 32 BA A7 01 00 00 
{61} normal block at 0x000001A7BA327010, 16 bytes long.
 Data: < &#234;q8&#247;           > 80 EA 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A7BA326FC0, 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 0x000001A7BA326980, 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 0x000001A7BA326750, 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 0x000001A7BA326F20, 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 0x000001A7BA326C00, 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 0x000001A7BA326A20, 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 0x000001A7BA3273D0, 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 0x000001A7BA327470, 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 0x000001A7BA327330, 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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