Task 38638359

Name tnks2_A26_A08_r0_3-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND6678_3
Workunit 31585343
Created 30 Apr 2026, 4:56:28 UTC
Sent 30 Apr 2026, 4:56:40 UTC
Report deadline 5 May 2026, 4:56:40 UTC
Received 30 Apr 2026, 5:00:43 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 642172
Run time 2 min 21 sec
CPU time 14 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 8,885.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 54.33 MB
Peak swap size 39.05 MB
Peak disk usage 4.10 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>
23:58:16 (45500): wrapper (7.9.26016): starting
23:58:16 (45500): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A08_0.pdb
QB_A26_A08_0.xml
QB_A26_A08.inpcrd
QB_A26_A08_input.yaml
QB_A26_A08.pdb
QB_A26_A08.prmtop
QB_A26_A08_sys.xml
run.bat
run.sh
23:58:18 (45500): Library/usr/bin/tar.exe exited; CPU time 0.031250
23:58:18 (45500): 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\1\Library\etc\OpenCL\vendors\temp.txt
  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.
Could not find platform independent libraries <prefix>
Python path configuration:
  PYTHONHOME = (not set)
  PYTHONPATH = 'C:\ProgramData\BOINC\slots\1\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\1\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\1\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\1\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\1'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\1\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\1\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\1\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\1\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\1',
  ]
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 0x0000ff00 (most recent call first):
  <no Python frame>
23:59:08 (45500): C:/Windows/system32/cmd.exe exited; CPU time 14.078125
23:59:08 (45500): app exit status: 0x16
23:59:08 (45500): 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: 1009811 bytes.
Dumping objects ->
{3835593} normal block at 0x000002446278FF00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835582} normal block at 0x000002446278FE20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835571} normal block at 0x00000244627900C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835560} normal block at 0x0000024462790050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835549} normal block at 0x000002446278FDB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835518} normal block at 0x0000024464604820, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x000002446461EB90, 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) : {3835504} normal block at 0x0000024462793EF0, 8 bytes long.
 Data: <  &#220;bD   > 00 00 DC 62 44 02 00 00 
{3834703} normal block at 0x000002446461DFE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x00000244627949E0, 8 bytes long.
 Data: <&#208;&#230;?dD   > D0 E6 3F 64 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000024462789520, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000244627121A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x00000244627945D0, 16 bytes long.
 Data: <&#216;:ybD           > D8 3A 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024462794A80, 16 bytes long.
 Data: <&#176;:ybD           > B0 3A 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002446278D6A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x00000244627946C0, 16 bytes long.
 Data: < :ybD           > 88 3A 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000244627948A0, 16 bytes long.
 Data: <`:ybD           > 60 3A 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002446278EDB0, 16 bytes long.
 Data: <8:ybD           > 38 3A 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002446278ED10, 16 bytes long.
 Data: < :ybD           > 10 3A 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002446278FE90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000002446278F3F0, 16 bytes long.
 Data: < &#221;pbD           > 88 DD 70 62 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002446278E000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000002446278EC70, 16 bytes long.
 Data: <`&#221;pbD           > 60 DD 70 62 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002446278F670, 16 bytes long.
 Data: <8&#221;pbD           > 38 DD 70 62 44 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002446278EF40, 16 bytes long.
 Data: < &#221;pbD           > 10 DD 70 62 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002446278F5D0, 16 bytes long.
 Data: <&#232;&#220;pbD           > E8 DC 70 62 44 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002446278F300, 16 bytes long.
 Data: <&#192;&#220;pbD           > C0 DC 70 62 44 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002446278EF90, 16 bytes long.
 Data: < &#220;pbD           > 98 DC 70 62 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002446278D9A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000002446278F440, 16 bytes long.
 Data: <p&#220;pbD           > 70 DC 70 62 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002446270DC70, 320 bytes long.
 Data: <@&#244;xbD   &#160;&#217;xbD   > 40 F4 78 62 44 02 00 00 A0 D9 78 62 44 02 00 00 
{266} normal block at 0x000002446278E950, 16 bytes long.
 Data: <&#240;9ybD           > F0 39 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002446278EBD0, 16 bytes long.
 Data: <&#200;9ybD           > C8 39 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002446278DAC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000002446278F170, 16 bytes long.
 Data: <&#160;9ybD           > A0 39 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002446278DD00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000002446278EB80, 16 bytes long.
 Data: <&#232;8ybD           > E8 38 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002446278EC20, 16 bytes long.
 Data: <&#192;8ybD           > C0 38 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002446278E810, 16 bytes long.
 Data: < 8ybD           > 98 38 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002446278E8B0, 16 bytes long.
 Data: <p8ybD           > 70 38 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002446278E7C0, 16 bytes long.
 Data: <H8ybD           > 48 38 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002446278EA90, 16 bytes long.
 Data: < 8ybD           > 20 38 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002446278EA40, 16 bytes long.
 Data: <p&#255;xbD           > 70 FF 78 62 44 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002446278FF70, 40 bytes long.
 Data: <@&#234;xbD    H`dD   > 40 EA 78 62 44 02 00 00 20 48 60 64 44 02 00 00 
{252} normal block at 0x000002446278F6C0, 16 bytes long.
 Data: < 8ybD           > 00 38 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002446278F530, 16 bytes long.
 Data: <&#216;7ybD           > D8 37 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002446278DB20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000002446278EFE0, 16 bytes long.
 Data: <&#176;7ybD           > B0 37 79 62 44 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x00000244627937B0, 992 bytes long.
 Data: <&#224;&#239;xbD    &#219;xbD   > E0 EF 78 62 44 02 00 00 20 DB 78 62 44 02 00 00 
{84} normal block at 0x000002446278D7C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000002446278EB30, 16 bytes long.
 Data: < &#220;pbD           > 00 DC 70 62 44 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002446270DC00, 40 bytes long.
 Data: <0&#235;xbD   &#192;&#215;xbD   > 30 EB 78 62 44 02 00 00 C0 D7 78 62 44 02 00 00 
{61} normal block at 0x000002446278F120, 16 bytes long.
 Data: < &#234;Eq&#247;           > 80 EA 45 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002446278ECC0, 16 bytes long.
 Data: <@&#233;Eq&#247;           > 40 E9 45 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002446278F2B0, 16 bytes long.
 Data: <&#248;WBq&#247;           > F8 57 42 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002446278EE00, 16 bytes long.
 Data: <&#216;WBq&#247;           > D8 57 42 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002446278E900, 16 bytes long.
 Data: <P Bq&#247;           > 50 04 42 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002446278F490, 16 bytes long.
 Data: <0 Bq&#247;           > 30 04 42 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002446278F210, 16 bytes long.
 Data: <&#224; Bq&#247;           > E0 02 42 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000024462754490, 16 bytes long.
 Data: <  Bq&#247;           > 10 04 42 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000024462753D10, 16 bytes long.
 Data: <p Bq&#247;           > 70 04 42 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000024462754440, 16 bytes long.
 Data: < &#192;@q&#247;           > 18 C0 40 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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