Task 38630214

Name cdk8_A25_A18_r0_1-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND4358_4
Workunit 31577383
Created 25 Apr 2026, 11:21:28 UTC
Sent 25 Apr 2026, 11:21:30 UTC
Report deadline 30 Apr 2026, 11:21:30 UTC
Received 25 Apr 2026, 11:25:08 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 650299
Run time 1 min 30 sec
CPU time 12 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,123.00 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 239.60 MB
Peak swap size 10.58 GB
Peak disk usage 1.52 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>
07:22:43 (33812): wrapper (7.9.26016): starting
07:22:43 (33812): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A18.inpcrd
QB_A25_A18_input.yaml
QB_A25_A18.pdb
QB_A25_A18.prmtop
QB_A25_A18_sys.xml
run.bat
run.sh
07:22:44 (33812): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:22:44 (33812): 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\0\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\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\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\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\0\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\0\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_A25_A18_0.xml'
07:23:09 (33812): C:/Windows/system32/cmd.exe exited; CPU time 12.781250
07:23:09 (33812): app exit status: 0x16
07:23:09 (33812): 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: 823357 bytes.
Dumping objects ->
{3835239} normal block at 0x000001A97D979720, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001A97D978F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001A97D979640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x000001A97D954130, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001A97D9540C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x000001A97F7561D0, 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) : {3835151} normal block at 0x000001A97D94DC90, 8 bytes long.
 Data: <  &#226;}&#169;   > 00 00 E2 7D A9 01 00 00 
{3833957} normal block at 0x000001A97D94D880, 8 bytes long.
 Data: <p&#214;&#147;}&#169;   > 70 D6 93 7D A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001A97D940CE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A97D9422A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001A97D9546A0, 16 bytes long.
 Data: < Y&#149;}&#169;           > 88 59 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A97D954B50, 16 bytes long.
 Data: <`Y&#149;}&#169;           > 60 59 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A97D951280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001A97D955460, 16 bytes long.
 Data: <8Y&#149;}&#169;           > 38 59 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A97D9553C0, 16 bytes long.
 Data: < Y&#149;}&#169;           > 10 59 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A97D954C90, 16 bytes long.
 Data: <&#232;X&#149;}&#169;           > E8 58 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A97D954B00, 16 bytes long.
 Data: <&#192;X&#149;}&#169;           > C0 58 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A97D954280, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001A97D9551E0, 16 bytes long.
 Data: <(&#180;&#147;}&#169;           > 28 B4 93 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A97D9511C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001A97D955550, 16 bytes long.
 Data: < &#180;&#147;}&#169;           > 00 B4 93 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A97D954E70, 16 bytes long.
 Data: <&#216;&#179;&#147;}&#169;           > D8 B3 93 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A97D955230, 16 bytes long.
 Data: <&#176;&#179;&#147;}&#169;           > B0 B3 93 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A97D955280, 16 bytes long.
 Data: < &#179;&#147;}&#169;           > 88 B3 93 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A97D954BA0, 16 bytes long.
 Data: <`&#179;&#147;}&#169;           > 60 B3 93 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A97D9547E0, 16 bytes long.
 Data: <8&#179;&#147;}&#169;           > 38 B3 93 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A97D951160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001A97D9555F0, 16 bytes long.
 Data: < &#179;&#147;}&#169;           > 10 B3 93 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A97D93B310, 320 bytes long.
 Data: <&#240;U&#149;}&#169;   ` &#149;}&#169;   > F0 55 95 7D A9 01 00 00 60 11 95 7D A9 01 00 00 
{274} normal block at 0x000001A97D954DD0, 16 bytes long.
 Data: <&#160;X&#149;}&#169;           > A0 58 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A97D955370, 16 bytes long.
 Data: <xX&#149;}&#169;           > 78 58 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A97D950DA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001A97D955320, 16 bytes long.
 Data: <PX&#149;}&#169;           > 50 58 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A97D951820, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001A97D954790, 16 bytes long.
 Data: < W&#149;}&#169;           > 98 57 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A97D954D30, 16 bytes long.
 Data: <pW&#149;}&#169;           > 70 57 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A97D954830, 16 bytes long.
 Data: <HW&#149;}&#169;           > 48 57 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A97D9548D0, 16 bytes long.
 Data: < W&#149;}&#169;           > 20 57 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A97D9552D0, 16 bytes long.
 Data: <&#248;V&#149;}&#169;           > F8 56 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A97D954920, 16 bytes long.
 Data: <&#208;V&#149;}&#169;           > D0 56 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A97D955500, 16 bytes long.
 Data: <P@&#149;}&#169;           > 50 40 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A97D954050, 40 bytes long.
 Data: < U&#149;}&#169;   &#208;au &#169;   > 00 55 95 7D A9 01 00 00 D0 61 75 7F A9 01 00 00 
{260} normal block at 0x000001A97D954FB0, 16 bytes long.
 Data: <&#176;V&#149;}&#169;           > B0 56 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A97D954D80, 16 bytes long.
 Data: < V&#149;}&#169;           > 88 56 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A97D950A40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001A97D954F10, 16 bytes long.
 Data: <`V&#149;}&#169;           > 60 56 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A97D955660, 992 bytes long.
 Data: < O&#149;}&#169;   @ &#149;}&#169;   > 10 4F 95 7D A9 01 00 00 40 0A 95 7D A9 01 00 00 
{92} normal block at 0x000001A97D950C20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001A97D94DA10, 16 bytes long.
 Data: <&#240;B&#149;}&#169;           > F0 42 95 7D A9 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001A97D9542F0, 40 bytes long.
 Data: < &#218;&#148;}&#169;     &#149;}&#169;   > 10 DA 94 7D A9 01 00 00 20 0C 95 7D A9 01 00 00 
{69} normal block at 0x000001A97D94D9C0, 16 bytes long.
 Data: < &#234;&#193;&#234;&#246;           > 80 EA C1 EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A97D94DBF0, 16 bytes long.
 Data: <@&#233;&#193;&#234;&#246;           > 40 E9 C1 EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A97D94DBA0, 16 bytes long.
 Data: <&#248;W&#190;&#234;&#246;           > F8 57 BE EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A97D94D5B0, 16 bytes long.
 Data: <&#216;W&#190;&#234;&#246;           > D8 57 BE EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A97D94D100, 16 bytes long.
 Data: <P &#190;&#234;&#246;           > 50 04 BE EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A97D94D790, 16 bytes long.
 Data: <0 &#190;&#234;&#246;           > 30 04 BE EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A97D94DEC0, 16 bytes long.
 Data: <&#224; &#190;&#234;&#246;           > E0 02 BE EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A97D94DD80, 16 bytes long.
 Data: <  &#190;&#234;&#246;           > 10 04 BE EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A97D94DC40, 16 bytes long.
 Data: <p &#190;&#234;&#246;           > 70 04 BE EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A97D94D0B0, 16 bytes long.
 Data: < &#192;&#188;&#234;&#246;           > 18 C0 BC EA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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