Task 38628069

Name cdk8_A28_A09_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND5990_2
Workunit 31577400
Created 24 Apr 2026, 15:35:51 UTC
Sent 24 Apr 2026, 15:36:30 UTC
Report deadline 29 Apr 2026, 15:36:30 UTC
Received 24 Apr 2026, 23:25:18 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652183
Run time 1 min 14 sec
CPU time 12 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,331.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 240.20 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>
17:20:11 (25948): wrapper (7.9.26016): starting
17:20:11 (25948): 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
17:20:12 (25948): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:20:12 (25948): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\1\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\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\1\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\1\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'
17:20:34 (25948): C:/Windows/system32/cmd.exe exited; CPU time 12.890625
17:20:34 (25948): app exit status: 0x16
17:20:34 (25948): 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: 793025 bytes.
Dumping objects ->
{3835258} normal block at 0x00000277DD1ECD20, 48 bytes long.
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{3835247} normal block at 0x00000277DB434810, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000277DB434880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x00000277DB4348F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x00000277DB4345E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x00000277DD2393A0, 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) : {3835170} normal block at 0x00000277DB42D350, 8 bytes long.
 Data: <   &#219;w   > 00 00 8D DB 77 02 00 00 
{3833959} normal block at 0x00000277DB42D300, 8 bytes long.
 Data: <0t(&#221;w   > 30 74 28 DD 77 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000277DB421560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000277DB41EB30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000277DB435320, 16 bytes long.
 Data: <XaC&#219;w           > 58 61 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000277DB435DC0, 16 bytes long.
 Data: <0aC&#219;w           > 30 61 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000277DB430A60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000277DB4352D0, 16 bytes long.
 Data: < aC&#219;w           > 08 61 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000277DB435370, 16 bytes long.
 Data: <&#224;`C&#219;w           > E0 60 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000277DB435820, 16 bytes long.
 Data: <&#184;`C&#219;w           > B8 60 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000277DB435B40, 16 bytes long.
 Data: < `C&#219;w           > 90 60 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000277DB434730, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000277DB435280, 16 bytes long.
 Data: <&#184;&#255;A&#219;w           > B8 FF 41 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000277DB431180, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000277DB4354B0, 16 bytes long.
 Data: < &#255;A&#219;w           > 90 FF 41 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000277DB435460, 16 bytes long.
 Data: <h&#255;A&#219;w           > 68 FF 41 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000277DB435A00, 16 bytes long.
 Data: <@&#255;A&#219;w           > 40 FF 41 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000277DB4355F0, 16 bytes long.
 Data: < &#255;A&#219;w           > 18 FF 41 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000277DB4350F0, 16 bytes long.
 Data: <&#240;&#254;A&#219;w           > F0 FE 41 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000277DB435D20, 16 bytes long.
 Data: <&#200;&#254;A&#219;w           > C8 FE 41 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000277DB430A00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000277DB435CD0, 16 bytes long.
 Data: <&#160;&#254;A&#219;w           > A0 FE 41 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000277DB41FEA0, 320 bytes long.
 Data: <&#208;\C&#219;w     C&#219;w   > D0 5C 43 DB 77 02 00 00 00 0A 43 DB 77 02 00 00 
{275} normal block at 0x00000277DB435C80, 16 bytes long.
 Data: <p`C&#219;w           > 70 60 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000277DB435690, 16 bytes long.
 Data: <H`C&#219;w           > 48 60 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000277DB430BE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000277DB4357D0, 16 bytes long.
 Data: < `C&#219;w           > 20 60 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000277DB430400, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000277DB435D70, 16 bytes long.
 Data: <h_C&#219;w           > 68 5F 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000277DB435140, 16 bytes long.
 Data: <@_C&#219;w           > 40 5F 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000277DB435C30, 16 bytes long.
 Data: < _C&#219;w           > 18 5F 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000277DB4355A0, 16 bytes long.
 Data: <&#240;^C&#219;w           > F0 5E 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000277DB435AA0, 16 bytes long.
 Data: <&#200;^C&#219;w           > C8 5E 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000277DB435730, 16 bytes long.
 Data: <&#160;^C&#219;w           > A0 5E 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000277DB435910, 16 bytes long.
 Data: < DC&#219;w           > 20 44 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000277DB434420, 40 bytes long.
 Data: < YC&#219;w   &#160;&#147;#&#221;w   > 10 59 43 DB 77 02 00 00 A0 93 23 DD 77 02 00 00 
{261} normal block at 0x00000277DB4358C0, 16 bytes long.
 Data: < ^C&#219;w           > 80 5E 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000277DB435230, 16 bytes long.
 Data: <X^C&#219;w           > 58 5E 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000277DB430D60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000277DB435410, 16 bytes long.
 Data: <0^C&#219;w           > 30 5E 43 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000277DB435E30, 992 bytes long.
 Data: < TC&#219;w   ` C&#219;w   > 10 54 43 DB 77 02 00 00 60 0D 43 DB 77 02 00 00 
{93} normal block at 0x00000277DB430FA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000277DB42CC20, 16 bytes long.
 Data: <&#240;&#209;A&#219;w           > F0 D1 41 DB 77 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000277DB41D1F0, 40 bytes long.
 Data: < &#204;B&#219;w   &#160; C&#219;w   > 20 CC 42 DB 77 02 00 00 A0 0F 43 DB 77 02 00 00 
{70} normal block at 0x00000277DB42D030, 16 bytes long.
 Data: < &#234;&#231;"&#247;           > 80 EA E7 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000277DB42D9E0, 16 bytes long.
 Data: <@&#233;&#231;"&#247;           > 40 E9 E7 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000277DB42D990, 16 bytes long.
 Data: <&#248;W&#228;"&#247;           > F8 57 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000277DB42D940, 16 bytes long.
 Data: <&#216;W&#228;"&#247;           > D8 57 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000277DB42D8F0, 16 bytes long.
 Data: <P &#228;"&#247;           > 50 04 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000277DB42D2B0, 16 bytes long.
 Data: <0 &#228;"&#247;           > 30 04 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000277DB42CF40, 16 bytes long.
 Data: <&#224; &#228;"&#247;           > E0 02 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000277DB42D210, 16 bytes long.
 Data: <  &#228;"&#247;           > 10 04 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000277DB42CBD0, 16 bytes long.
 Data: <p &#228;"&#247;           > 70 04 E4 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000277DB42D5D0, 16 bytes long.
 Data: < &#192;&#226;"&#247;           > 18 C0 E2 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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