Task 38613746

Name p38_A04_A15_r0_4-QUICO_ATM_OpenFF_p38-5-6-RND2236_0
Workunit 31566177
Created 17 Apr 2026, 1:05:48 UTC
Sent 17 Apr 2026, 1:05:52 UTC
Report deadline 22 Apr 2026, 1:05:52 UTC
Received 17 Apr 2026, 14:13:58 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 617538
Run time 1 min 52 sec
CPU time 9 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 48,743.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 46.05 MB
Peak swap size 34.43 MB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:37:46 (26156): wrapper (7.9.26016): starting
18:37:46 (26156): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A15_0.pdb
QB_A04_A15_0.xml
QB_A04_A15.inpcrd
QB_A04_A15_input.yaml
QB_A04_A15.pdb
QB_A04_A15.prmtop
QB_A04_A15_sys.xml
run.bat
run.sh
18:38:00 (26156): Library/usr/bin/tar.exe exited; CPU time 0.453125
18:38:00 (26156): 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\10\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\10\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.
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
CreateToolhelp32Snapshot failed
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\10\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\10\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 "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
    self._openmm_worker_body()
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
    self.load_system()
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
    self.system = XmlSerializer.deserialize(input.read())
                                            ^^^^^^^^^^^^
MemoryError
23:31:49 (26156): C:/Windows/system32/cmd.exe exited; CPU time 23.687500
23:31:49 (26156): app exit status: 0x16
23:31:49 (26156): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 221705927 bytes.
Dumping objects ->
{3835510} normal block at 0x0000020A9F3EE2E0, 48 bytes long.
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{3835499} normal block at 0x0000020A9D606810, 48 bytes long.
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{3835488} normal block at 0x0000020A9D606730, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835477} normal block at 0x0000020A9D6066C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x0000020A9D6067A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835435} normal block at 0x0000020A9F437720, 64 bytes long.
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{3835424} normal block at 0x0000020A9D65E4B0, 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) : {3835421} normal block at 0x0000020A9D5FF2D0, 8 bytes long.
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{3834666} normal block at 0x0000020A9D65E8C0, 141 bytes long.
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{3833961} normal block at 0x0000020A9D5FF3C0, 8 bytes long.
 Data: < &#177;b     > 80 B1 62 9D 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020A9D5F3540, 260 bytes long.
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{297} normal block at 0x0000020A9D5EEA80, 80 bytes long.
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{296} normal block at 0x0000020A9D607A60, 16 bytes long.
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{295} normal block at 0x0000020A9D6079C0, 16 bytes long.
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{294} normal block at 0x0000020A9D602F70, 32 bytes long.
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{293} normal block at 0x0000020A9D606E30, 16 bytes long.
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{292} normal block at 0x0000020A9D607560, 16 bytes long.
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{291} normal block at 0x0000020A9D607A10, 16 bytes long.
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{290} normal block at 0x0000020A9D606ED0, 16 bytes long.
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{289} normal block at 0x0000020A9D606880, 48 bytes long.
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{288} normal block at 0x0000020A9D607290, 16 bytes long.
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{287} normal block at 0x0000020A9D602790, 32 bytes long.
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{286} normal block at 0x0000020A9D607920, 16 bytes long.
 Data: <pC_             > 70 43 5F 9D 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A9D607970, 16 bytes long.
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{283} normal block at 0x0000020A9D607240, 16 bytes long.
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{282} normal block at 0x0000020A9D607650, 16 bytes long.
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{281} normal block at 0x0000020A9D607600, 16 bytes long.
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{280} normal block at 0x0000020A9D607010, 16 bytes long.
 Data: <&#168;B_             > A8 42 5F 9D 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020A9D6032D0, 32 bytes long.
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{278} normal block at 0x0000020A9D607880, 16 bytes long.
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{277} normal block at 0x0000020A9D5F4280, 320 bytes long.
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{276} normal block at 0x0000020A9D606E80, 16 bytes long.
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{275} normal block at 0x0000020A9D606DE0, 16 bytes long.
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{274} normal block at 0x0000020A9D6027F0, 32 bytes long.
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{273} normal block at 0x0000020A9D607150, 16 bytes long.
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{272} normal block at 0x0000020A9D603270, 32 bytes long.
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{271} normal block at 0x0000020A9D606D90, 16 bytes long.
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{270} normal block at 0x0000020A9D6077E0, 16 bytes long.
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{269} normal block at 0x0000020A9D606D40, 16 bytes long.
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{268} normal block at 0x0000020A9D607420, 16 bytes long.
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{267} normal block at 0x0000020A9D607380, 16 bytes long.
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{266} normal block at 0x0000020A9D607510, 16 bytes long.
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{264} normal block at 0x0000020A9D606CA0, 16 bytes long.
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{263} normal block at 0x0000020A9D606B20, 40 bytes long.
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{262} normal block at 0x0000020A9D607830, 16 bytes long.
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{261} normal block at 0x0000020A9D607BF0, 16 bytes long.
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{260} normal block at 0x0000020A9D602D90, 32 bytes long.
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{259} normal block at 0x0000020A9D6070B0, 16 bytes long.
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{258} normal block at 0x0000020A9D607C60, 992 bytes long.
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{94} normal block at 0x0000020A9D603150, 32 bytes long.
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{93} normal block at 0x0000020A9D5FF460, 16 bytes long.
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{92} normal block at 0x0000020A9D5ED390, 40 bytes long.
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{71} normal block at 0x0000020A9D5FEDD0, 16 bytes long.
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{70} normal block at 0x0000020A9D5FF410, 16 bytes long.
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{69} normal block at 0x0000020A9D5FF500, 16 bytes long.
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{68} normal block at 0x0000020A9D5FEF60, 16 bytes long.
 Data: <&#216;W&#241;o&#247;           > D8 57 F1 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020A9D5FF870, 16 bytes long.
 Data: <P &#241;o&#247;           > 50 04 F1 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020A9D5FED80, 16 bytes long.
 Data: <0 &#241;o&#247;           > 30 04 F1 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020A9D5FF190, 16 bytes long.
 Data: <&#224; &#241;o&#247;           > E0 02 F1 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020A9D5FEF10, 16 bytes long.
 Data: <  &#241;o&#247;           > 10 04 F1 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020A9D5FF7D0, 16 bytes long.
 Data: <p &#241;o&#247;           > 70 04 F1 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020A9D5FF140, 16 bytes long.
 Data: < &#192;&#239;o&#247;           > 18 C0 EF 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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