Task 38613869

Name p38_A24_A11_r0_1-QUICO_ATM_OpenFF_p38-4-6-RND2941_0
Workunit 31566286
Created 17 Apr 2026, 3:07:59 UTC
Sent 17 Apr 2026, 3:08:14 UTC
Report deadline 22 Apr 2026, 3:08:14 UTC
Received 17 Apr 2026, 4:19:59 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641073
Run time 2 min 16 sec
CPU time 6 sec
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 38.67 MB
Peak swap size 26.66 MB
Peak disk usage 1.57 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>
23:17:35 (21408): wrapper (7.9.26016): starting
23:17:35 (21408): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A11_0.pdb
QB_A24_A11_0.xml
QB_A24_A11.inpcrd
QB_A24_A11_input.yaml
QB_A24_A11.pdb
QB_A24_A11.prmtop
QB_A24_A11_sys.xml
run.bat
run.sh
23:17:38 (21408): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:17:38 (21408): 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\0\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\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\0\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\0\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\0\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\0\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\0\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\0'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\0\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\0\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\0\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\0\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\0',
  ]
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 0x00000efc (most recent call first):
  <no Python frame>
23:18:34 (21408): C:/Windows/system32/cmd.exe exited; CPU time 6.609375
23:18:34 (21408): app exit status: 0x16
23:18:34 (21408): 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: 1120593 bytes.
Dumping objects ->
{3835620} normal block at 0x0000023BF6455100, 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 0x0000023BF45333E0, 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 0x0000023BF4533370, 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 0x0000023BF4533450, 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 0x0000023BF4533300, 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 0x0000023BF63CA1B0, 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 0x0000023BF63E0DC0, 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 0x0000023BF452F970, 8 bytes long.
 Data: <  &#161;&#244;;   > 00 00 A1 F4 3B 02 00 00 
{3834725} normal block at 0x0000023BF63E0C60, 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 0x0000023BF452FBF0, 8 bytes long.
 Data: <`EB&#246;;   > 60 45 42 F6 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023BF45357B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023BF44AEF80, 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 0x0000023BF45343F0, 16 bytes long.
 Data: < AS&#244;;           > 18 41 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023BF4534DA0, 16 bytes long.
 Data: <&#240;@S&#244;;           > F0 40 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023BF452EBA0, 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 0x0000023BF45348A0, 16 bytes long.
 Data: <&#200;@S&#244;;           > C8 40 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023BF4534710, 16 bytes long.
 Data: <&#160;@S&#244;;           > A0 40 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023BF4535160, 16 bytes long.
 Data: <x@S&#244;;           > 78 40 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023BF4534E40, 16 bytes long.
 Data: <P@S&#244;;           > 50 40 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023BF4532F80, 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 0x0000023BF4534C60, 16 bytes long.
 Data: <X8S&#244;;           > 58 38 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023BF452E900, 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 0x0000023BF45350C0, 16 bytes long.
 Data: <08S&#244;;           > 30 38 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023BF45348F0, 16 bytes long.
 Data: < 8S&#244;;           > 08 38 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023BF4534850, 16 bytes long.
 Data: <&#224;7S&#244;;           > E0 37 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023BF4534350, 16 bytes long.
 Data: <&#184;7S&#244;;           > B8 37 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023BF4535110, 16 bytes long.
 Data: < 7S&#244;;           > 90 37 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023BF45342B0, 16 bytes long.
 Data: <h7S&#244;;           > 68 37 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023BF452DEE0, 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 0x0000023BF4534CB0, 16 bytes long.
 Data: <@7S&#244;;           > 40 37 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023BF4533740, 320 bytes long.
 Data: <&#176;LS&#244;;   &#224;&#222;R&#244;;   > B0 4C 53 F4 3B 02 00 00 E0 DE 52 F4 3B 02 00 00 
{277} normal block at 0x0000023BF45344E0, 16 bytes long.
 Data: <0@S&#244;;           > 30 40 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023BF4534D50, 16 bytes long.
 Data: < @S&#244;;           > 08 40 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023BF452E960, 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 0x0000023BF4534440, 16 bytes long.
 Data: <&#224;?S&#244;;           > E0 3F 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023BF452ECC0, 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 0x0000023BF4534800, 16 bytes long.
 Data: <(?S&#244;;           > 28 3F 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023BF4534F80, 16 bytes long.
 Data: < ?S&#244;;           > 00 3F 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023BF4535070, 16 bytes long.
 Data: <&#216;>S&#244;;           > D8 3E 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023BF452F1A0, 16 bytes long.
 Data: <&#176;>S&#244;;           > B0 3E 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023BF452F150, 16 bytes long.
 Data: < >S&#244;;           > 88 3E 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023BF452F100, 16 bytes long.
 Data: <`>S&#244;;           > 60 3E 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023BF452EFC0, 16 bytes long.
 Data: <05S&#244;;           > 30 35 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023BF4533530, 40 bytes long.
 Data: <&#192;&#239;R&#244;;   &#176;&#161;<&#246;;   > C0 EF 52 F4 3B 02 00 00 B0 A1 3C F6 3B 02 00 00 
{263} normal block at 0x0000023BF452FBA0, 16 bytes long.
 Data: <@>S&#244;;           > 40 3E 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023BF452FB50, 16 bytes long.
 Data: < >S&#244;;           > 18 3E 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023BF452EC60, 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 0x0000023BF452F470, 16 bytes long.
 Data: <&#240;=S&#244;;           > F0 3D 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023BF4533DF0, 992 bytes long.
 Data: <p&#244;R&#244;;   `&#236;R&#244;;   > 70 F4 52 F4 3B 02 00 00 60 EC 52 F4 3B 02 00 00 
{95} normal block at 0x0000023BF452E8A0, 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 0x0000023BF452F8D0, 16 bytes long.
 Data: <&#192;.S&#244;;           > C0 2E 53 F4 3B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023BF4532EC0, 40 bytes long.
 Data: <&#208;&#248;R&#244;;   &#160;&#232;R&#244;;   > D0 F8 52 F4 3B 02 00 00 A0 E8 52 F4 3B 02 00 00 
{72} normal block at 0x0000023BF452F1F0, 16 bytes long.
 Data: < &#234;vP&#246;           > 80 EA 76 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023BF452EE30, 16 bytes long.
 Data: <@&#233;vP&#246;           > 40 E9 76 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023BF452F880, 16 bytes long.
 Data: <&#248;WsP&#246;           > F8 57 73 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023BF452F330, 16 bytes long.
 Data: <&#216;WsP&#246;           > D8 57 73 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023BF452FC90, 16 bytes long.
 Data: <P sP&#246;           > 50 04 73 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023BF452FAB0, 16 bytes long.
 Data: <0 sP&#246;           > 30 04 73 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023BF452F9C0, 16 bytes long.
 Data: <&#224; sP&#246;           > E0 02 73 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023BF452EED0, 16 bytes long.
 Data: <  sP&#246;           > 10 04 73 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023BF452F290, 16 bytes long.
 Data: <p sP&#246;           > 70 04 73 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023BF452F790, 16 bytes long.
 Data: < &#192;qP&#246;           > 18 C0 71 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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