Task 38608348

Name hif2a_A32_A13_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a-1-6-RND1885_1
Workunit 31561705
Created 14 Apr 2026, 15:41:45 UTC
Sent 14 Apr 2026, 15:42:36 UTC
Report deadline 19 Apr 2026, 15:42:36 UTC
Received 14 Apr 2026, 15:52:15 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641073
Run time 57 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,155.48 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 24.45 MB
Peak swap size 12.96 MB
Peak disk usage 4.04 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>
10:43:26 (15908): wrapper (7.9.26016): starting
10:43:26 (15908): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A13_0.pdb
QB_A32_A13_0.xml
QB_A32_A13.inpcrd
QB_A32_A13_input.yaml
QB_A32_A13.pdb
QB_A32_A13.prmtop
QB_A32_A13_sys.xml
run.bat
run.sh
10:43:27 (15908): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:43:27 (15908): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
The system cannot find the file specified.
Could Not Find C:\ProgramData\BOINC\slots\3\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\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\3\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.
Could not find platform independent libraries <prefix>
Python path configuration:
  PYTHONHOME = (not set)
  PYTHONPATH = 'C:\ProgramData\BOINC\slots\3\Lib\python3.11\site-packages'
  program name = 'python.exe'
  isolated = 0
  environment = 1
  user site = 1
  safe_path = 0
  import site = 1
  is in build tree = 0
  stdlib dir = 'C:\ProgramData\BOINC\slots\3\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\3\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\3\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\3\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\3\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\3\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\3\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\3',
  ]
Fatal Python error: init_fs_encoding: failed to get the Python codec of the filesystem encoding
Python runtime state: core initialized
ModuleNotFoundError: No module named 'encodings'

Current thread 0x00007c2c (most recent call first):
  <no Python frame>
10:43:39 (15908): C:/Windows/system32/cmd.exe exited; CPU time 0.328125
10:43:39 (15908): app exit status: 0x16
10:43:39 (15908): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 500197 bytes.
Dumping objects ->
{3835620} normal block at 0x000002E2E52AAAF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835609} normal block at 0x000002E2E5282720, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835598} normal block at 0x000002E2E52824F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835587} normal block at 0x000002E2E5282B80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835576} normal block at 0x000002E2E52829C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835545} normal block at 0x000002E2E718B3A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x000002E2E719FF20, 102 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) : {3835531} normal block at 0x000002E2E527EA30, 8 bytes long.
 Data: <  s&#229;&#226;   > 00 00 73 E5 E2 02 00 00 
{3834725} normal block at 0x000002E2E719F630, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002E2E527E670, 8 bytes long.
 Data: < ^!&#231;&#226;   > 80 5E 21 E7 E2 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002E2E5284650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002E2E5201C60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002E2E5284040, 16 bytes long.
 Data: <&#184;3(&#229;&#226;           > B8 33 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002E2E52839B0, 16 bytes long.
 Data: < 3(&#229;&#226;           > 90 33 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002E2E527DA40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002E2E52843B0, 16 bytes long.
 Data: <h3(&#229;&#226;           > 68 33 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002E2E5284270, 16 bytes long.
 Data: <@3(&#229;&#226;           > 40 33 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002E2E5283C30, 16 bytes long.
 Data: < 3(&#229;&#226;           > 18 33 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002E2E5283BE0, 16 bytes long.
 Data: <&#240;2(&#229;&#226;           > F0 32 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002E2E5282A30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002E2E5283B40, 16 bytes long.
 Data: <&#200;-(&#229;&#226;           > C8 2D 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002E2E527E2E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002E2E5283F00, 16 bytes long.
 Data: <&#160;-(&#229;&#226;           > A0 2D 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002E2E5283B90, 16 bytes long.
 Data: <x-(&#229;&#226;           > 78 2D 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002E2E5284220, 16 bytes long.
 Data: <P-(&#229;&#226;           > 50 2D 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E2E5283A50, 16 bytes long.
 Data: <(-(&#229;&#226;           > 28 2D 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E2E5283550, 16 bytes long.
 Data: < -(&#229;&#226;           > 00 2D 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E2E5283780, 16 bytes long.
 Data: <&#216;,(&#229;&#226;           > D8 2C 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E2E527DDA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002E2E5283500, 16 bytes long.
 Data: <&#176;,(&#229;&#226;           > B0 2C 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002E2E5282CB0, 320 bytes long.
 Data: < 5(&#229;&#226;   &#160;&#221;'&#229;&#226;   > 00 35 28 E5 E2 02 00 00 A0 DD 27 E5 E2 02 00 00 
{277} normal block at 0x000002E2E5283F50, 16 bytes long.
 Data: <&#208;2(&#229;&#226;           > D0 32 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002E2E5283AA0, 16 bytes long.
 Data: <&#168;2(&#229;&#226;           > A8 32 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E2E527E1C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002E2E52842C0, 16 bytes long.
 Data: < 2(&#229;&#226;           > 80 32 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E2E527D7A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002E2E52841D0, 16 bytes long.
 Data: <&#200;1(&#229;&#226;           > C8 31 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002E2E5283AF0, 16 bytes long.
 Data: <&#160;1(&#229;&#226;           > A0 31 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E2E5283E10, 16 bytes long.
 Data: <x1(&#229;&#226;           > 78 31 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002E2E527F340, 16 bytes long.
 Data: <P1(&#229;&#226;           > 50 31 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002E2E527F1B0, 16 bytes long.
 Data: <(1(&#229;&#226;           > 28 31 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E2E527E800, 16 bytes long.
 Data: < 1(&#229;&#226;           > 00 31 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002E2E527F110, 16 bytes long.
 Data: <&#176;&(&#229;&#226;           > B0 26 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E2E52826B0, 40 bytes long.
 Data: < &#241;'&#229;&#226;   &#160;&#179; &#231;&#226;   > 10 F1 27 E5 E2 02 00 00 A0 B3 18 E7 E2 02 00 00 
{263} normal block at 0x000002E2E527EB70, 16 bytes long.
 Data: <&#224;0(&#229;&#226;           > E0 30 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002E2E527E710, 16 bytes long.
 Data: <&#184;0(&#229;&#226;           > B8 30 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E2E527DD40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002E2E527F250, 16 bytes long.
 Data: < 0(&#229;&#226;           > 90 30 28 E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002E2E5283090, 992 bytes long.
 Data: <P&#242;'&#229;&#226;   @&#221;'&#229;&#226;   > 50 F2 27 E5 E2 02 00 00 40 DD 27 E5 E2 02 00 00 
{95} normal block at 0x000002E2E527DB60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002E2E527E8F0, 16 bytes long.
 Data: <&#208;&#210; &#229;&#226;           > D0 D2 1F E5 E2 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002E2E51FD2D0, 40 bytes long.
 Data: <&#240;&#232;'&#229;&#226;   `&#219;'&#229;&#226;   > F0 E8 27 E5 E2 02 00 00 60 DB 27 E5 E2 02 00 00 
{72} normal block at 0x000002E2E527F480, 16 bytes long.
 Data: < &#234;&#234;&#158;&#246;           > 80 EA EA 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002E2E527F430, 16 bytes long.
 Data: <@&#233;&#234;&#158;&#246;           > 40 E9 EA 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002E2E527E850, 16 bytes long.
 Data: <&#248;W&#231;&#158;&#246;           > F8 57 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002E2E527EBC0, 16 bytes long.
 Data: <&#216;W&#231;&#158;&#246;           > D8 57 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002E2E527F070, 16 bytes long.
 Data: <P &#231;&#158;&#246;           > 50 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002E2E527EF80, 16 bytes long.
 Data: <0 &#231;&#158;&#246;           > 30 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002E2E527E9E0, 16 bytes long.
 Data: <&#224; &#231;&#158;&#246;           > E0 02 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002E2E527F3E0, 16 bytes long.
 Data: <  &#231;&#158;&#246;           > 10 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002E2E527EDA0, 16 bytes long.
 Data: <p &#231;&#158;&#246;           > 70 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002E2E527EF30, 16 bytes long.
 Data: < &#192;&#229;&#158;&#246;           > 18 C0 E5 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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