Task 38627475

Name cdk8_A31_A28_r0_1-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND6231_0
Workunit 31577455
Created 24 Apr 2026, 11:55:51 UTC
Sent 24 Apr 2026, 12:06:45 UTC
Report deadline 29 Apr 2026, 12:06:45 UTC
Received 24 Apr 2026, 12:10:39 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648352
Run time 2 min 2 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 2,145.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 48.36 MB
Peak swap size 35.07 MB
Peak disk usage 1.42 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:08:37 (14828): wrapper (7.9.26016): starting
14:08:37 (14828): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A28_0.pdb
QB_A31_A28_0.xml
QB_A31_A28.inpcrd
QB_A31_A28_input.yaml
QB_A31_A28.pdb
QB_A31_A28.prmtop
QB_A31_A28_sys.xml
run.bat
run.sh
14:08:43 (14828): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:08:43 (14828): 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\6\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\6\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.
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\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 10, in rbfe_production
    from atom_openmm.openmm_async_re import openmm_job_RBFE
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\openmm_async_re.py", line 10, in <module>
    import openmm as mm
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\openmm\__init__.py", line 24, in <module>
    from openmm.openmm import *
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\openmm\openmm.py", line 10, in <module>
    from . import _openmm
ImportError: DLL load failed while importing _openmm: Das angegebene Modul wurde nicht gefunden.
14:09:17 (14828): C:/Windows/system32/cmd.exe exited; CPU time 2.625000
14:09:17 (14828): app exit status: 0x16
14:09:17 (14828): called boinc_finish(195)
0 bytes in 0 Free Blocks.
428 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: 782950 bytes.
Dumping objects ->
{3835499} normal block at 0x0000014F82D563B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835488} normal block at 0x0000014F82D56340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x0000014F82D56180, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835466} normal block at 0x0000014F82D56110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835455} normal block at 0x0000014F82D560A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835424} normal block at 0x0000014F84A7A6D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835413} normal block at 0x0000014F84A8F090, 86 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) : {3835410} normal block at 0x0000014F82D4ED30, 8 bytes long.
 Data: <  &#210;&#130;O   > 00 00 D2 82 4F 01 00 00 
{3834671} normal block at 0x0000014F84A8ED70, 86 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000014F82D4E6F0, 8 bytes long.
 Data: <`&#234;&#226;&#130;O   > 60 EA E2 82 4F 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000014F82D423A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014F82D3FC40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000014F82D572B0, 16 bytes long.
 Data: < |&#213;&#130;O           > 98 7C D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014F82D56EF0, 16 bytes long.
 Data: <p|&#213;&#130;O           > 70 7C D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014F82D521A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000014F82D56770, 16 bytes long.
 Data: <H|&#213;&#130;O           > 48 7C D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014F82D56EA0, 16 bytes long.
 Data: < |&#213;&#130;O           > 20 7C D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014F82D56E50, 16 bytes long.
 Data: <&#248;{&#213;&#130;O           > F8 7B D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014F82D56E00, 16 bytes long.
 Data: <&#208;{&#213;&#130;O           > D0 7B D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014F82D55EE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000014F82D57170, 16 bytes long.
 Data: <&#248;e&#213;&#130;O           > F8 65 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014F82D52920, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000014F82D56720, 16 bytes long.
 Data: <&#208;e&#213;&#130;O           > D0 65 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014F82D566D0, 16 bytes long.
 Data: <&#168;e&#213;&#130;O           > A8 65 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014F82D57120, 16 bytes long.
 Data: < e&#213;&#130;O           > 80 65 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014F82D57440, 16 bytes long.
 Data: <Xe&#213;&#130;O           > 58 65 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014F82D57300, 16 bytes long.
 Data: <0e&#213;&#130;O           > 30 65 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014F82D57260, 16 bytes long.
 Data: < e&#213;&#130;O           > 08 65 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014F82D52860, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000014F82D56810, 16 bytes long.
 Data: <&#224;d&#213;&#130;O           > E0 64 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014F82D564E0, 320 bytes long.
 Data: < h&#213;&#130;O   `(&#213;&#130;O   > 10 68 D5 82 4F 01 00 00 60 28 D5 82 4F 01 00 00 
{272} normal block at 0x0000014F82D56D10, 16 bytes long.
 Data: <&#176;{&#213;&#130;O           > B0 7B D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014F82D57490, 16 bytes long.
 Data: < {&#213;&#130;O           > 88 7B D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014F82D52080, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000014F82D56DB0, 16 bytes long.
 Data: <`{&#213;&#130;O           > 60 7B D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014F82D52800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000014F82D56B80, 16 bytes long.
 Data: <&#168;z&#213;&#130;O           > A8 7A D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014F82D575D0, 16 bytes long.
 Data: < z&#213;&#130;O           > 80 7A D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014F82D56B30, 16 bytes long.
 Data: <Xz&#213;&#130;O           > 58 7A D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014F82D57580, 16 bytes long.
 Data: <0z&#213;&#130;O           > 30 7A D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014F82D57620, 16 bytes long.
 Data: < z&#213;&#130;O           > 08 7A D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014F82D56D60, 16 bytes long.
 Data: <&#224;y&#213;&#130;O           > E0 79 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014F82D56A40, 16 bytes long.
 Data: <&#240;a&#213;&#130;O           > F0 61 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014F82D561F0, 40 bytes long.
 Data: <@j&#213;&#130;O   &#208;&#166;&#167;&#132;O   > 40 6A D5 82 4F 01 00 00 D0 A6 A7 84 4F 01 00 00 
{258} normal block at 0x0000014F82D57530, 16 bytes long.
 Data: <&#192;y&#213;&#130;O           > C0 79 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014F82D56CC0, 16 bytes long.
 Data: < y&#213;&#130;O           > 98 79 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014F82D528C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000014F82D569F0, 16 bytes long.
 Data: <py&#213;&#130;O           > 70 79 D5 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014F82D57970, 992 bytes long.
 Data: <&#240;i&#213;&#130;O   &#192;(&#213;&#130;O   > F0 69 D5 82 4F 01 00 00 C0 28 D5 82 4F 01 00 00 
{90} normal block at 0x0000014F82D52620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000014F82D4EC90, 16 bytes long.
 Data: <&#240;&#209;&#211;&#130;O           > F0 D1 D3 82 4F 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000014F82D3D1F0, 40 bytes long.
 Data: < &#236;&#212;&#130;O    &&#213;&#130;O   > 90 EC D4 82 4F 01 00 00 20 26 D5 82 4F 01 00 00 
{67} normal block at 0x0000014F82D4F2D0, 16 bytes long.
 Data: < &#234;&#199;&#170;&#247;           > 80 EA C7 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014F82D4EBF0, 16 bytes long.
 Data: <@&#233;&#199;&#170;&#247;           > 40 E9 C7 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014F82D4EC40, 16 bytes long.
 Data: <&#248;W&#196;&#170;&#247;           > F8 57 C4 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014F82D4F050, 16 bytes long.
 Data: <&#216;W&#196;&#170;&#247;           > D8 57 C4 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014F82D4EF10, 16 bytes long.
 Data: <P &#196;&#170;&#247;           > 50 04 C4 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014F82D4EDD0, 16 bytes long.
 Data: <0 &#196;&#170;&#247;           > 30 04 C4 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014F82D4F0A0, 16 bytes long.
 Data: <&#224; &#196;&#170;&#247;           > E0 02 C4 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014F82D4E4C0, 16 bytes long.
 Data: <  &#196;&#170;&#247;           > 10 04 C4 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014F82D4E380, 16 bytes long.
 Data: <p &#196;&#170;&#247;           > 70 04 C4 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014F82D4EBA0, 16 bytes long.
 Data: < &#192;&#194;&#170;&#247;           > 18 C0 C2 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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