Task 38615457

Name p38_2_A21_A33_r0_1-QUICO_ATM_OpenFF_NAGL_p38_2-0-6-RND9825_0
Workunit 31567758
Created 17 Apr 2026, 16:50:23 UTC
Sent 17 Apr 2026, 17:20:04 UTC
Report deadline 22 Apr 2026, 17:20:04 UTC
Received 17 Apr 2026, 17:24:32 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 34 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 58.75 MB
Peak swap size 41.71 MB
Peak disk usage 2.78 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>
12:22:05 (26968): wrapper (7.9.26016): starting
12:22:05 (26968): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A33_0.pdb
QB_A21_A33_0.xml
QB_A21_A33.inpcrd
QB_A21_A33_input.yaml
QB_A21_A33.pdb
QB_A21_A33.prmtop
QB_A21_A33_sys.xml
run.bat
run.sh
12:22:08 (26968): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:22:08 (26968): 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\12\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\12\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\12\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\12\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\12\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\12\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\12'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\12'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\12\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\12'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\12'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\12\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\12\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\12\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\12\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\12',
  ]
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 0x000026d8 (most recent call first):
  <no Python frame>
12:22:50 (26968): C:/Windows/system32/cmd.exe exited; CPU time 14.296875
12:22:50 (26968): app exit status: 0x16
12:22:50 (26968): 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: 977197 bytes.
Dumping objects ->
{3835549} normal block at 0x000002A894791D30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835538} normal block at 0x000002A894791E10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835527} normal block at 0x000002A894791CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835516} normal block at 0x000002A8947918D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x000002A894791DA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835474} normal block at 0x000002A8964A75B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835463} normal block at 0x000002A8964BF8E0, 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) : {3835460} normal block at 0x000002A894793020, 8 bytes long.
 Data: <  2&#150;&#168;   > 00 00 32 96 A8 02 00 00 
{3834685} normal block at 0x000002A8964C0070, 102 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 0x000002A8947932F0, 8 bytes long.
 Data: <&#192;2C&#150;&#168;   > C0 32 43 96 A8 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002A894794C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A8947116E0, 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 0x000002A894792C60, 16 bytes long.
 Data: < $y&#148;&#168;           > 88 24 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A894792CB0, 16 bytes long.
 Data: <`$y&#148;&#168;           > 60 24 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A89478A330, 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 0x000002A894792F80, 16 bytes long.
 Data: <8$y&#148;&#168;           > 38 24 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A8947932A0, 16 bytes long.
 Data: < $y&#148;&#168;           > 10 24 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A894792DA0, 16 bytes long.
 Data: <&#232;#y&#148;&#168;           > E8 23 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A89478E3F0, 16 bytes long.
 Data: <&#192;#y&#148;&#168;           > C0 23 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A8947919B0, 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 0x000002A89478E620, 16 bytes long.
 Data: <  y&#148;&#168;           > 88 16 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A894789970, 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 0x000002A89478E5D0, 16 bytes long.
 Data: <` y&#148;&#168;           > 60 16 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A89478E350, 16 bytes long.
 Data: <8 y&#148;&#168;           > 38 16 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A89478E300, 16 bytes long.
 Data: <  y&#148;&#168;           > 10 16 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A89478E2B0, 16 bytes long.
 Data: <&#232; y&#148;&#168;           > E8 15 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A89478E260, 16 bytes long.
 Data: <&#192; y&#148;&#168;           > C0 15 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A89478E800, 16 bytes long.
 Data: <  y&#148;&#168;           > 98 15 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A89478A270, 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 0x000002A89478DC20, 16 bytes long.
 Data: <p y&#148;&#168;           > 70 15 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A894791570, 320 bytes long.
 Data: < &#220;x&#148;&#168;   p&#162;x&#148;&#168;   > 20 DC 78 94 A8 02 00 00 70 A2 78 94 A8 02 00 00 
{272} normal block at 0x000002A89478E080, 16 bytes long.
 Data: <&#160;#y&#148;&#168;           > A0 23 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A89478E030, 16 bytes long.
 Data: <x#y&#148;&#168;           > 78 23 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A89478A150, 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 0x000002A89478DDB0, 16 bytes long.
 Data: <P#y&#148;&#168;           > 50 23 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A89478A0F0, 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 0x000002A89478E210, 16 bytes long.
 Data: < "y&#148;&#168;           > 98 22 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A89478E170, 16 bytes long.
 Data: <p"y&#148;&#168;           > 70 22 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A89478E0D0, 16 bytes long.
 Data: <H"y&#148;&#168;           > 48 22 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A89478DFE0, 16 bytes long.
 Data: < "y&#148;&#168;           > 20 22 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A89478DF90, 16 bytes long.
 Data: <&#248;!y&#148;&#168;           > F8 21 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A89478DEF0, 16 bytes long.
 Data: <&#208;!y&#148;&#168;           > D0 21 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A89478DD60, 16 bytes long.
 Data: <@ y&#148;&#168;           > 40 19 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A894791940, 40 bytes long.
 Data: <`&#221;x&#148;&#168;   &#176;uJ&#150;&#168;   > 60 DD 78 94 A8 02 00 00 B0 75 4A 96 A8 02 00 00 
{258} normal block at 0x000002A89478DB80, 16 bytes long.
 Data: <&#176;!y&#148;&#168;           > B0 21 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A89478DEA0, 16 bytes long.
 Data: < !y&#148;&#168;           > 88 21 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A89478A450, 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 0x000002A89478DAE0, 16 bytes long.
 Data: <`!y&#148;&#168;           > 60 21 79 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002A894792160, 992 bytes long.
 Data: <&#224;&#218;x&#148;&#168;   P&#164;x&#148;&#168;   > E0 DA 78 94 A8 02 00 00 50 A4 78 94 A8 02 00 00 
{90} normal block at 0x000002A894789E50, 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 0x000002A89478DB30, 16 bytes long.
 Data: <@&#211;x&#148;&#168;           > 40 D3 78 94 A8 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002A89478D340, 40 bytes long.
 Data: <0&#219;x&#148;&#168;   P&#158;x&#148;&#168;   > 30 DB 78 94 A8 02 00 00 50 9E 78 94 A8 02 00 00 
{67} normal block at 0x000002A89478DD10, 16 bytes long.
 Data: < &#234;&#174;2&#247;           > 80 EA AE 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A89478E8F0, 16 bytes long.
 Data: <@&#233;&#174;2&#247;           > 40 E9 AE 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A89478E580, 16 bytes long.
 Data: <&#248;W&#171;2&#247;           > F8 57 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A89478E710, 16 bytes long.
 Data: <&#216;W&#171;2&#247;           > D8 57 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A89478E940, 16 bytes long.
 Data: <P &#171;2&#247;           > 50 04 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A89478E440, 16 bytes long.
 Data: <0 &#171;2&#247;           > 30 04 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A89478E3A0, 16 bytes long.
 Data: <&#224; &#171;2&#247;           > E0 02 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A89478E120, 16 bytes long.
 Data: <  &#171;2&#247;           > 10 04 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A894753C90, 16 bytes long.
 Data: <p &#171;2&#247;           > 70 04 AB 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A894753BF0, 16 bytes long.
 Data: < &#192;&#169;2&#247;           > 18 C0 A9 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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