Task 38599510

Name p38_A27_A32_r0_3-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND0136_1
Workunit 31553396
Created 8 Apr 2026, 18:33:31 UTC
Sent 8 Apr 2026, 18:33:36 UTC
Report deadline 13 Apr 2026, 18:33:36 UTC
Received 8 Apr 2026, 18:36:26 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 642172
Run time 1 min 35 sec
CPU time 8 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 8,885.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 41.07 MB
Peak swap size 28.21 MB
Peak disk usage 1.51 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:34:49 (32812): wrapper (7.9.26016): starting
13:34:49 (32812): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A32_input.yaml
run.bat
run.sh
13:34:50 (32812): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:34:50 (32812): 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 0x00007040 (most recent call first):
  <no Python frame>
13:35:18 (32812): C:/Windows/system32/cmd.exe exited; CPU time 8.609375
13:35:18 (32812): app exit status: 0x16
13:35:18 (32812): 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: 647573 bytes.
Dumping objects ->
{3835553} normal block at 0x000001A4210715F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x000001A421070E10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001A421071120, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835520} normal block at 0x000001A41F1D26B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835509} normal block at 0x000001A41F1D2640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835478} normal block at 0x000001A420F727C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x000001A420F7F060, 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) : {3835464} normal block at 0x000001A41F1D30F0, 8 bytes long.
 Data: <  &#189; &#164;   > 00 00 BD 20 A4 01 00 00 
{3834689} normal block at 0x000001A420F7F740, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001A41F1D3E10, 8 bytes long.
 Data: <&#224;Q&#252; &#164;   > E0 51 FC 20 A4 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001A41F1D50F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A41F14CF70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001A41F1D3780, 16 bytes long.
 Data: <X/  &#164;           > 58 2F 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A41F1D3EB0, 16 bytes long.
 Data: <0/  &#164;           > 30 2F 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A41F1CD820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001A41F1D3500, 16 bytes long.
 Data: < /  &#164;           > 08 2F 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A41F1D3F00, 16 bytes long.
 Data: <&#224;.  &#164;           > E0 2E 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A41F1D30A0, 16 bytes long.
 Data: <&#184;.  &#164;           > B8 2E 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A41F1CE9E0, 16 bytes long.
 Data: < .  &#164;           > 90 2E 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A41F1D2330, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001A41F1CE990, 16 bytes long.
 Data: <h)  &#164;           > 68 29 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A41F1CD400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001A41F1CEAD0, 16 bytes long.
 Data: <@)  &#164;           > 40 29 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A41F1CE8A0, 16 bytes long.
 Data: < )  &#164;           > 18 29 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A41F1CF070, 16 bytes long.
 Data: <&#240;(  &#164;           > F0 28 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A41F1CE670, 16 bytes long.
 Data: <&#200;(  &#164;           > C8 28 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A41F1CE620, 16 bytes long.
 Data: <&#160;(  &#164;           > A0 28 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A41F1CE300, 16 bytes long.
 Data: <x(  &#164;           > 78 28 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A41F1CE060, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001A41F1CE490, 16 bytes long.
 Data: <P(  &#164;           > 50 28 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A41F1D2850, 320 bytes long.
 Data: < &#228;  &#164;   `&#224;  &#164;   > 90 E4 1C 1F A4 01 00 00 60 E0 1C 1F A4 01 00 00 
{274} normal block at 0x000001A41F1CE580, 16 bytes long.
 Data: <p.  &#164;           > 70 2E 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A41F1CEF80, 16 bytes long.
 Data: <H.  &#164;           > 48 2E 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A41F1CD640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001A41F1CEDF0, 16 bytes long.
 Data: < .  &#164;           > 20 2E 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A41F1CD340, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001A41F1CE5D0, 16 bytes long.
 Data: <h-  &#164;           > 68 2D 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A41F1CE530, 16 bytes long.
 Data: <@-  &#164;           > 40 2D 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A41F1CE4E0, 16 bytes long.
 Data: < -  &#164;           > 18 2D 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A41F1CE440, 16 bytes long.
 Data: <&#240;,  &#164;           > F0 2C 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A41F1CE3A0, 16 bytes long.
 Data: <&#200;,  &#164;           > C8 2C 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A41F1CE350, 16 bytes long.
 Data: <&#160;,  &#164;           > A0 2C 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A41F1CE2B0, 16 bytes long.
 Data: < '  &#164;           > 20 27 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A41F1D2720, 40 bytes long.
 Data: <&#176;&#226;  &#164;   &#192;'&#247; &#164;   > B0 E2 1C 1F A4 01 00 00 C0 27 F7 20 A4 01 00 00 
{260} normal block at 0x000001A41F1CEC60, 16 bytes long.
 Data: < ,  &#164;           > 80 2C 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A41F1CEC10, 16 bytes long.
 Data: <X,  &#164;           > 58 2C 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A41F1CD2E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001A41F1CEF30, 16 bytes long.
 Data: <0,  &#164;           > 30 2C 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A41F1D2C30, 992 bytes long.
 Data: <0&#239;  &#164;   &#224;&#210;  &#164;   > 30 EF 1C 1F A4 01 00 00 E0 D2 1C 1F A4 01 00 00 
{92} normal block at 0x000001A41F1CDFA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001A41F1CEDA0, 16 bytes long.
 Data: < !  &#164;           > 00 21 1D 1F A4 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001A41F1D2100, 40 bytes long.
 Data: <&#160;&#237;  &#164;   &#160;&#223;  &#164;   > A0 ED 1C 1F A4 01 00 00 A0 DF 1C 1F A4 01 00 00 
{69} normal block at 0x000001A41F1CE6C0, 16 bytes long.
 Data: < &#234; r&#247;           > 80 EA 1D 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A41F1CE800, 16 bytes long.
 Data: <@&#233; r&#247;           > 40 E9 1D 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A41F1CEA80, 16 bytes long.
 Data: <&#248;W r&#247;           > F8 57 1A 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A41F1CE7B0, 16 bytes long.
 Data: <&#216;W r&#247;           > D8 57 1A 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A41F1CED50, 16 bytes long.
 Data: <P  r&#247;           > 50 04 1A 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A41F1CE710, 16 bytes long.
 Data: <0  r&#247;           > 30 04 1A 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A41F1CE940, 16 bytes long.
 Data: <&#224;  r&#247;           > E0 02 1A 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A41F1CE760, 16 bytes long.
 Data: <   r&#247;           > 10 04 1A 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A41F193400, 16 bytes long.
 Data: <p  r&#247;           > 70 04 1A 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A41F193130, 16 bytes long.
 Data: < &#192; r&#247;           > 18 C0 18 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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