Task 38627510

Name cdk8_A28_A09_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND9653_1
Workunit 31577401
Created 24 Apr 2026, 12:06:27 UTC
Sent 24 Apr 2026, 12:16:41 UTC
Report deadline 29 Apr 2026, 12:16:41 UTC
Received 24 Apr 2026, 12:38:15 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 640564
Run time 54 sec
CPU time 21 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,691.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 512.74 MB
Peak swap size 3.34 GB
Peak disk usage 1.42 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:35:55 (23624): wrapper (7.9.26016): starting
08:35:55 (23624): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A09.inpcrd
QB_A28_A09_input.yaml
QB_A28_A09.pdb
QB_A28_A09.prmtop
QB_A28_A09_sys.xml
run.bat
run.sh
08:36:13 (23624): Library/usr/bin/tar.exe exited; CPU time 0.234375
08:36:13 (23624): 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\4\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\4\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\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\4\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\4\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
    self.simulation.loadState(self.basename + "_0.xml")
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\openmm\app\simulation.py", line 359, in loadState
    with open(file, 'r') as f:
         ^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A28_A09_0.xml'
08:36:57 (23624): C:/Windows/system32/cmd.exe exited; CPU time 21.421875
08:36:57 (23624): app exit status: 0x16
08:36:57 (23624): 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: 996169 bytes.
Dumping objects ->
{3835199} normal block at 0x00000299BE946A40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x00000299BE946110, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000299BE9461F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835166} normal block at 0x00000299BE946F80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x00000299BE946F10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835124} normal block at 0x00000299BE85CBD0, 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) : {3835111} normal block at 0x00000299BCDC6EF0, 8 bytes long.
 Data: <  z&#190;    > 00 00 7A BE 99 02 00 00 
{3833955} normal block at 0x00000299BCDC6AE0, 8 bytes long.
 Data: <p2 &#190;    > 70 32 90 BE 99 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000299BCDD0AF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000299BCDB60F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000299BCDD2710, 16 bytes long.
 Data: <&#168;A&#221;&#188;            > A8 41 DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000299BCDD1A40, 16 bytes long.
 Data: < A&#221;&#188;            > 80 41 DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000299BCDCBB70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000299BCDD1D10, 16 bytes long.
 Data: <XA&#221;&#188;            > 58 41 DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000299BCDD1FE0, 16 bytes long.
 Data: <0A&#221;&#188;            > 30 41 DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000299BCDD2490, 16 bytes long.
 Data: < A&#221;&#188;            > 08 41 DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000299BCDD2760, 16 bytes long.
 Data: <&#224;@&#221;&#188;            > E0 40 DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000299BCDCDD30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000299BCDD19F0, 16 bytes long.
 Data: < `&#219;&#188;            > 88 60 DB BC 99 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000299BCDCB9F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000299BCDD25D0, 16 bytes long.
 Data: <``&#219;&#188;            > 60 60 DB BC 99 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000299BCDD1BD0, 16 bytes long.
 Data: <8`&#219;&#188;            > 38 60 DB BC 99 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000299BCDD2120, 16 bytes long.
 Data: < `&#219;&#188;            > 10 60 DB BC 99 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000299BCDD2170, 16 bytes long.
 Data: <&#232;_&#219;&#188;            > E8 5F DB BC 99 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000299BCDD2580, 16 bytes long.
 Data: <&#192;_&#219;&#188;            > C0 5F DB BC 99 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000299BCDD1EF0, 16 bytes long.
 Data: < _&#219;&#188;            > 98 5F DB BC 99 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000299BCDCBF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000299BCDD1A90, 16 bytes long.
 Data: <p_&#219;&#188;            > 70 5F DB BC 99 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000299BCDB5F70, 320 bytes long.
 Data: <  &#221;&#188;     &#191;&#220;&#188;    > 90 1A DD BC 99 02 00 00 90 BF DC BC 99 02 00 00 
{273} normal block at 0x00000299BCDD23F0, 16 bytes long.
 Data: <&#192;@&#221;&#188;            > C0 40 DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000299BCDD1F90, 16 bytes long.
 Data: < @&#221;&#188;            > 98 40 DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000299BCDCC530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000299BCDD22B0, 16 bytes long.
 Data: <p@&#221;&#188;            > 70 40 DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000299BCDCC4D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000299BCDD23A0, 16 bytes long.
 Data: <&#184;?&#221;&#188;            > B8 3F DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000299BCDD1D60, 16 bytes long.
 Data: < ?&#221;&#188;            > 90 3F DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000299BCDD2260, 16 bytes long.
 Data: <h?&#221;&#188;            > 68 3F DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000299BCDD2210, 16 bytes long.
 Data: <@?&#221;&#188;            > 40 3F DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000299BCDD2670, 16 bytes long.
 Data: < ?&#221;&#188;            > 18 3F DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000299BCDD1EA0, 16 bytes long.
 Data: <&#240;>&#221;&#188;            > F0 3E DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000299BCDD2850, 16 bytes long.
 Data: <&#192;&#220;&#220;&#188;            > C0 DC DC BC 99 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000299BCDCDCC0, 40 bytes long.
 Data: <P(&#221;&#188;    &#208;&#203;&#133;&#190;    > 50 28 DD BC 99 02 00 00 D0 CB 85 BE 99 02 00 00 
{259} normal block at 0x00000299BCDD1E00, 16 bytes long.
 Data: <&#208;>&#221;&#188;            > D0 3E DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000299BCDD1C70, 16 bytes long.
 Data: <&#168;>&#221;&#188;            > A8 3E DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000299BCDCC350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000299BCDD2350, 16 bytes long.
 Data: < >&#221;&#188;            > 80 3E DD BC 99 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000299BCDD3E80, 992 bytes long.
 Data: <P#&#221;&#188;    P&#195;&#220;&#188;    > 50 23 DD BC 99 02 00 00 50 C3 DC BC 99 02 00 00 
{91} normal block at 0x00000299BCDCBF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000299BCDC6B80, 16 bytes long.
 Data: <&#224;&#219;&#220;&#188;            > E0 DB DC BC 99 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000299BCDCDBE0, 40 bytes long.
 Data: < k&#220;&#188;    0&#191;&#220;&#188;    > 80 6B DC BC 99 02 00 00 30 BF DC BC 99 02 00 00 
{68} normal block at 0x00000299BCDC7710, 16 bytes long.
 Data: < &#234;T:&#246;           > 80 EA 54 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000299BCDC6E50, 16 bytes long.
 Data: <@&#233;T:&#246;           > 40 E9 54 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000299BCDC76C0, 16 bytes long.
 Data: <&#248;WQ:&#246;           > F8 57 51 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000299BCDC7940, 16 bytes long.
 Data: <&#216;WQ:&#246;           > D8 57 51 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000299BCDC7670, 16 bytes long.
 Data: <P Q:&#246;           > 50 04 51 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000299BCDC7620, 16 bytes long.
 Data: <0 Q:&#246;           > 30 04 51 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000299BCDC7440, 16 bytes long.
 Data: <&#224; Q:&#246;           > E0 02 51 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000299BCDC6D60, 16 bytes long.
 Data: <  Q:&#246;           > 10 04 51 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000299BCDC7260, 16 bytes long.
 Data: <p Q:&#246;           > 70 04 51 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000299BCDC75D0, 16 bytes long.
 Data: < &#192;O:&#246;           > 18 C0 4F 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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