Task 38615672

Name p38_2_A31_A33_r0_1-QUICO_ATM_GAFF2_NAGL_p38_2-0-6-RND5393_0
Workunit 31567968
Created 17 Apr 2026, 16:54:10 UTC
Sent 17 Apr 2026, 17:33:20 UTC
Report deadline 22 Apr 2026, 17:33:20 UTC
Received 17 Apr 2026, 17:37:41 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 47 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 51.94 MB
Peak swap size 38.07 MB
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>
12:35:34 (34732): wrapper (7.9.26016): starting
12:35:34 (34732): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A33_0.pdb
QB_A31_A33_0.xml
QB_A31_A33.inpcrd
QB_A31_A33_input.yaml
QB_A31_A33.pdb
QB_A31_A33.prmtop
QB_A31_A33_sys.xml
run.bat
run.sh
12:35:36 (34732): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:35:36 (34732): 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 0x0000220c (most recent call first):
  <no Python frame>
12:36:16 (34732): C:/Windows/system32/cmd.exe exited; CPU time 14.437500
12:36:16 (34732): app exit status: 0x16
12:36:16 (34732): 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: 830179 bytes.
Dumping objects ->
{3835549} normal block at 0x000002E6B78D32F0, 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 0x000002E6B78D3280, 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 0x000002E6B78D31A0, 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 0x000002E6B78D3130, 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 0x000002E6B78D30C0, 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 0x000002E6B97EA8A0, 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 0x000002E6B9800990, 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 0x000002E6B78D46A0, 8 bytes long.
 Data: <  &#244;&#183;&#230;   > 00 00 F4 B7 E6 02 00 00 
{3834685} normal block at 0x000002E6B98008E0, 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 0x000002E6B78D4510, 8 bytes long.
 Data: <&#208; &#131;&#185;&#230;   > D0 9D 83 B9 E6 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002E6B78D5FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002E6B7851F30, 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 0x000002E6B78D3F70, 16 bytes long.
 Data: <&#232;< &#183;&#230;           > E8 3C 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002E6B78D4650, 16 bytes long.
 Data: <&#192;< &#183;&#230;           > C0 3C 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002E6B78CAFC0, 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 0x000002E6B78D4150, 16 bytes long.
 Data: < < &#183;&#230;           > 98 3C 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002E6B78D4BF0, 16 bytes long.
 Data: <p< &#183;&#230;           > 70 3C 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002E6B78D4100, 16 bytes long.
 Data: <H< &#183;&#230;           > 48 3C 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002E6B78CF680, 16 bytes long.
 Data: < < &#183;&#230;           > 20 3C 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002E6B78D3520, 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 0x000002E6B78CF590, 16 bytes long.
 Data: <&#232;. &#183;&#230;           > E8 2E 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E6B78CBCE0, 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 0x000002E6B78CF4A0, 16 bytes long.
 Data: <&#192;. &#183;&#230;           > C0 2E 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E6B78CF180, 16 bytes long.
 Data: < . &#183;&#230;           > 98 2E 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002E6B78CF900, 16 bytes long.
 Data: <p. &#183;&#230;           > 70 2E 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002E6B78CEF50, 16 bytes long.
 Data: <H. &#183;&#230;           > 48 2E 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002E6B78CEF00, 16 bytes long.
 Data: < . &#183;&#230;           > 20 2E 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002E6B78CF310, 16 bytes long.
 Data: <&#248;- &#183;&#230;           > F8 2D 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E6B78CBAA0, 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 0x000002E6B78CF540, 16 bytes long.
 Data: <&#208;- &#183;&#230;           > D0 2D 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E6B78D2DD0, 320 bytes long.
 Data: <@&#245;&#140;&#183;&#230;   &#160;&#186;&#140;&#183;&#230;   > 40 F5 8C B7 E6 02 00 00 A0 BA 8C B7 E6 02 00 00 
{272} normal block at 0x000002E6B78CFCC0, 16 bytes long.
 Data: < < &#183;&#230;           > 00 3C 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002E6B78CF0E0, 16 bytes long.
 Data: <&#216;; &#183;&#230;           > D8 3B 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E6B78CBC80, 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 0x000002E6B78CFC70, 16 bytes long.
 Data: <&#176;; &#183;&#230;           > B0 3B 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002E6B78CB9E0, 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 0x000002E6B78CF040, 16 bytes long.
 Data: <&#248;: &#183;&#230;           > F8 3A 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002E6B78CF5E0, 16 bytes long.
 Data: <&#208;: &#183;&#230;           > D0 3A 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002E6B78CF3B0, 16 bytes long.
 Data: <&#168;: &#183;&#230;           > A8 3A 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E6B78CFE00, 16 bytes long.
 Data: < : &#183;&#230;           > 80 3A 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002E6B78CFD60, 16 bytes long.
 Data: <X: &#183;&#230;           > 58 3A 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002E6B78CFC20, 16 bytes long.
 Data: <0: &#183;&#230;           > 30 3A 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002E6B78CFB80, 16 bytes long.
 Data: <&#176;4 &#183;&#230;           > B0 34 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002E6B78D34B0, 40 bytes long.
 Data: < &#251;&#140;&#183;&#230;   &#160;&#168;~&#185;&#230;   > 80 FB 8C B7 E6 02 00 00 A0 A8 7E B9 E6 02 00 00 
{258} normal block at 0x000002E6B78CF720, 16 bytes long.
 Data: < : &#183;&#230;           > 10 3A 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002E6B78CFAE0, 16 bytes long.
 Data: <&#232;9 &#183;&#230;           > E8 39 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002E6B78CB980, 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 0x000002E6B78CF2C0, 16 bytes long.
 Data: <&#192;9 &#183;&#230;           > C0 39 8D B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002E6B78D39C0, 992 bytes long.
 Data: <&#192;&#242;&#140;&#183;&#230;    &#185;&#140;&#183;&#230;   > C0 F2 8C B7 E6 02 00 00 80 B9 8C B7 E6 02 00 00 
{90} normal block at 0x000002E6B78CBA40, 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 0x000002E6B78CF360, 16 bytes long.
 Data: <0&#221;&#132;&#183;&#230;           > 30 DD 84 B7 E6 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002E6B784DD30, 40 bytes long.
 Data: <`&#243;&#140;&#183;&#230;   @&#186;&#140;&#183;&#230;   > 60 F3 8C B7 E6 02 00 00 40 BA 8C B7 E6 02 00 00 
{67} normal block at 0x000002E6B78CF090, 16 bytes long.
 Data: < &#234;`_&#247;           > 80 EA 60 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002E6B78CF4F0, 16 bytes long.
 Data: <@&#233;`_&#247;           > 40 E9 60 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002E6B78CFA90, 16 bytes long.
 Data: <&#248;W]_&#247;           > F8 57 5D 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002E6B78CF270, 16 bytes long.
 Data: <&#216;W]_&#247;           > D8 57 5D 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002E6B78CF860, 16 bytes long.
 Data: <P ]_&#247;           > 50 04 5D 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002E6B78CF8B0, 16 bytes long.
 Data: <0 ]_&#247;           > 30 04 5D 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002E6B78CFB30, 16 bytes long.
 Data: <&#224; ]_&#247;           > E0 02 5D 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002E6B78CF130, 16 bytes long.
 Data: <  ]_&#247;           > 10 04 5D 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002E6B7895170, 16 bytes long.
 Data: <p ]_&#247;           > 70 04 5D 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002E6B7895120, 16 bytes long.
 Data: < &#192;[_&#247;           > 18 C0 5B 5F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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