Task 38667894

Name test_983-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5634_0
Workunit 31610473
Created 25 Oct 2026, 9:50:46 UTC
Sent 25 Oct 2026, 9:51:01 UTC
Report deadline 30 Oct 2026, 9:51:01 UTC
Received 25 Oct 2026, 10:02:15 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 654625
Run time 8 min 20 sec
CPU time 6 min
Validate state Invalid
Credit 0.00
Device peak FLOPS 21,553.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.41 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 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>
09:54:35 (19548): wrapper (7.9.26016): starting
09:54:35 (19548): 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
09:54:37 (19548): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:54:37 (19548): 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:\Applications\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:\Applications\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:\Applications\BOINC\slots\9\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\Applications\BOINC\slots\9\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "D:\Applications\BOINC\slots\9\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "D:\Applications\BOINC\slots\9\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "D:\Applications\BOINC\slots\9\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\Applications\BOINC\slots\9\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
    (pos,vel) = job['openmm_worker'].get_posvel()
                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\Applications\BOINC\slots\9\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\Applications\BOINC\slots\9\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
10:01:07 (19548): C:/Windows/system32/cmd.exe exited; CPU time 360.375000
10:01:07 (19548): app exit status: 0x16
10:01:07 (19548): 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: 7588335 bytes.
Dumping objects ->
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{3835559} normal block at 0x0000011D14DE55A0, 48 bytes long.
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{3835548} normal block at 0x0000011D14DE5A70, 48 bytes long.
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{3835537} normal block at 0x0000011D14DE5A00, 48 bytes long.
 Data: <TMPDIR=D:\Applic> 54 4D 50 44 49 52 3D 44 3A 5C 41 70 70 6C 69 63 
{3835506} normal block at 0x0000011D16AB5780, 64 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x0000011D14DE0F80, 8 bytes long.
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{3833963} normal block at 0x0000011D14DE02B0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000011D14DE1CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000011D14DCF9B0, 80 bytes long.
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{297} normal block at 0x0000011D14DE67C0, 16 bytes long.
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{296} normal block at 0x0000011D14DE6B80, 16 bytes long.
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{295} normal block at 0x0000011D14DDDF20, 32 bytes long.
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{294} normal block at 0x0000011D14DE6040, 16 bytes long.
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{293} normal block at 0x0000011D14DE6630, 16 bytes long.
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{292} normal block at 0x0000011D14DE64A0, 16 bytes long.
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{291} normal block at 0x0000011D14DE6540, 16 bytes long.
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{290} normal block at 0x0000011D14DE53E0, 48 bytes long.
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{289} normal block at 0x0000011D14DE5FF0, 16 bytes long.
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{288} normal block at 0x0000011D14DDE1C0, 32 bytes long.
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{287} normal block at 0x0000011D14DE6180, 16 bytes long.
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{285} normal block at 0x0000011D14DE6130, 16 bytes long.
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{284} normal block at 0x0000011D14DE6A90, 16 bytes long.
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{283} normal block at 0x0000011D14DE6310, 16 bytes long.
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{282} normal block at 0x0000011D14DE6D10, 16 bytes long.
 Data: <  &#221;             > 90 03 DD 14 1D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000011D14DE62C0, 16 bytes long.
 Data: <h &#221;             > 68 03 DD 14 1D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000011D14DDDC20, 32 bytes long.
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{279} normal block at 0x0000011D14DE60E0, 16 bytes long.
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{278} normal block at 0x0000011D14DD0340, 320 bytes long.
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{277} normal block at 0x0000011D14DE63B0, 16 bytes long.
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{276} normal block at 0x0000011D14DE6270, 16 bytes long.
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{275} normal block at 0x0000011D14DDDBC0, 32 bytes long.
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{274} normal block at 0x0000011D14DE6F40, 16 bytes long.
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{273} normal block at 0x0000011D14DDDE00, 32 bytes long.
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{272} normal block at 0x0000011D14DE6C70, 16 bytes long.
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{271} normal block at 0x0000011D14DE6900, 16 bytes long.
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{270} normal block at 0x0000011D14DE6C20, 16 bytes long.
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{269} normal block at 0x0000011D14DE6BD0, 16 bytes long.
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{268} normal block at 0x0000011D14DE6B30, 16 bytes long.
 Data: <Hp&#222;             > 48 70 DE 14 1D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000011D14DE6770, 16 bytes long.
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{265} normal block at 0x0000011D14DE61D0, 16 bytes long.
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{264} normal block at 0x0000011D14DE56F0, 40 bytes long.
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{263} normal block at 0x0000011D14DE68B0, 16 bytes long.
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{262} normal block at 0x0000011D14DE6090, 16 bytes long.
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{261} normal block at 0x0000011D14DDE3A0, 32 bytes long.
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{260} normal block at 0x0000011D14DE6E00, 16 bytes long.
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{259} normal block at 0x0000011D14DE6FB0, 992 bytes long.
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{95} normal block at 0x0000011D14DDDCE0, 32 bytes long.
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{94} normal block at 0x0000011D14DE0990, 16 bytes long.
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{93} normal block at 0x0000011D14DD0980, 40 bytes long.
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{72} normal block at 0x0000011D14DE0F30, 16 bytes long.
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{71} normal block at 0x0000011D14DE0620, 16 bytes long.
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{70} normal block at 0x0000011D14DE0A80, 16 bytes long.
 Data: <&#248;WNB&#246;           > F8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000011D14DE08A0, 16 bytes long.
 Data: <&#216;WNB&#246;           > D8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000011D14DE0300, 16 bytes long.
 Data: <P NB&#246;           > 50 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000011D14DE0260, 16 bytes long.
 Data: <0 NB&#246;           > 30 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000011D14DE0850, 16 bytes long.
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{65} normal block at 0x0000011D14DE08F0, 16 bytes long.
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{64} normal block at 0x0000011D14DE0800, 16 bytes long.
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{63} normal block at 0x0000011D14DE0030, 16 bytes long.
 Data: < &#192;LB&#246;           > 18 C0 4C 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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