Task 38608837

Name p38_A27_A14_r0_2-QUICO_ATM_OpenFF_p38-0-6-RND4386_1
Workunit 31561591
Created 14 Apr 2026, 18:51:16 UTC
Sent 14 Apr 2026, 18:51:45 UTC
Report deadline 19 Apr 2026, 18:51:45 UTC
Received 14 Apr 2026, 19:01:54 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641073
Run time 54 sec
CPU time
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 24.37 MB
Peak swap size 12.80 MB
Peak disk usage 1.42 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>
13:54:31 (41584): wrapper (7.9.26016): starting
13:54:31 (41584): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A14_0.pdb
QB_A27_A14_0.xml
QB_A27_A14.inpcrd
QB_A27_A14_input.yaml
QB_A27_A14.pdb
QB_A27_A14.prmtop
QB_A27_A14_sys.xml
run.bat
run.sh
13:54:32 (41584): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:54:32 (41584): 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\3\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\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\3\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\3\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\3\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\3\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\3\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\3'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\3\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\3\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\3\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\3\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\3',
  ]
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 0x00005ddc (most recent call first):
  <no Python frame>
13:54:41 (41584): C:/Windows/system32/cmd.exe exited; CPU time 0.015625
13:54:41 (41584): app exit status: 0x16
13:54:41 (41584): 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: 355411 bytes.
Dumping objects ->
{3835620} normal block at 0x0000013B91B2AD90, 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 0x0000013B91B02B10, 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 0x0000013B91B029C0, 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 0x0000013B91B028E0, 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 0x0000013B91B02870, 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 0x0000013B938D7BA0, 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 0x0000013B938EF9A0, 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 0x0000013B91AFF200, 8 bytes long.
 Data: <  O&#147;;   > 00 00 4F 93 3B 01 00 00 
{3834725} normal block at 0x0000013B938F01E0, 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 0x0000013B91AFEE90, 8 bytes long.
 Data: < ^&#150;&#147;;   > 80 5E 96 93 3B 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000013B91B05CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000013B91A81B40, 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 0x0000013B91B035F0, 16 bytes long.
 Data: <&#184;3&#176;&#145;;           > B8 33 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013B91B040E0, 16 bytes long.
 Data: < 3&#176;&#145;;           > 90 33 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013B91AFE400, 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 0x0000013B91B03F50, 16 bytes long.
 Data: <h3&#176;&#145;;           > 68 33 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013B91B03E10, 16 bytes long.
 Data: <@3&#176;&#145;;           > 40 33 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013B91B03FF0, 16 bytes long.
 Data: < 3&#176;&#145;;           > 18 33 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013B91B038C0, 16 bytes long.
 Data: <&#240;2&#176;&#145;;           > F0 32 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013B91B02950, 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 0x0000013B91B03960, 16 bytes long.
 Data: <&#200;-&#176;&#145;;           > C8 2D B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013B91AFE340, 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 0x0000013B91B03FA0, 16 bytes long.
 Data: <&#160;-&#176;&#145;;           > A0 2D B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013B91B037D0, 16 bytes long.
 Data: <x-&#176;&#145;;           > 78 2D B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013B91B03A00, 16 bytes long.
 Data: <P-&#176;&#145;;           > 50 2D B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013B91B04220, 16 bytes long.
 Data: <(-&#176;&#145;;           > 28 2D B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013B91B04180, 16 bytes long.
 Data: < -&#176;&#145;;           > 00 2D B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013B91B03F00, 16 bytes long.
 Data: <&#216;,&#176;&#145;;           > D8 2C B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013B91AFD6E0, 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 0x0000013B91B03B90, 16 bytes long.
 Data: <&#176;,&#176;&#145;;           > B0 2C B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013B91B02CB0, 320 bytes long.
 Data: < ;&#176;&#145;;   &#224;&#214;&#175;&#145;;   > 90 3B B0 91 3B 01 00 00 E0 D6 AF 91 3B 01 00 00 
{277} normal block at 0x0000013B91B03C80, 16 bytes long.
 Data: <&#208;2&#176;&#145;;           > D0 32 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013B91B03C30, 16 bytes long.
 Data: <&#168;2&#176;&#145;;           > A8 32 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013B91AFDE60, 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 0x0000013B91B03D70, 16 bytes long.
 Data: < 2&#176;&#145;;           > 80 32 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013B91AFDB00, 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 0x0000013B91B03B40, 16 bytes long.
 Data: <&#200;1&#176;&#145;;           > C8 31 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013B91B035A0, 16 bytes long.
 Data: <&#160;1&#176;&#145;;           > A0 31 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013B91B04040, 16 bytes long.
 Data: <x1&#176;&#145;;           > 78 31 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013B91AFF020, 16 bytes long.
 Data: <P1&#176;&#145;;           > 50 31 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013B91AFEFD0, 16 bytes long.
 Data: <(1&#176;&#145;;           > 28 31 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013B91AFED50, 16 bytes long.
 Data: < 1&#176;&#145;;           > 00 31 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013B91AFE9E0, 16 bytes long.
 Data: <&#240;+&#176;&#145;;           > F0 2B B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013B91B02BF0, 40 bytes long.
 Data: <&#224;&#233;&#175;&#145;;   &#160;{ &#147;;   > E0 E9 AF 91 3B 01 00 00 A0 7B 8D 93 3B 01 00 00 
{263} normal block at 0x0000013B91AFED00, 16 bytes long.
 Data: <&#224;0&#176;&#145;;           > E0 30 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013B91AFE940, 16 bytes long.
 Data: <&#184;0&#176;&#145;;           > B8 30 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013B91AFDFE0, 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 0x0000013B91AFECB0, 16 bytes long.
 Data: < 0&#176;&#145;;           > 90 30 B0 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013B91B03090, 992 bytes long.
 Data: <&#176;&#236;&#175;&#145;;   &#224;&#223;&#175;&#145;;   > B0 EC AF 91 3B 01 00 00 E0 DF AF 91 3B 01 00 00 
{95} normal block at 0x0000013B91AFDF20, 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 0x0000013B91AFF4D0, 16 bytes long.
 Data: <&#208;&#210;&#167;&#145;;           > D0 D2 A7 91 3B 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000013B91A7D2D0, 40 bytes long.
 Data: <&#208;&#244;&#175;&#145;;    &#223;&#175;&#145;;   > D0 F4 AF 91 3B 01 00 00 20 DF AF 91 3B 01 00 00 
{72} normal block at 0x0000013B91AFF0C0, 16 bytes long.
 Data: < &#234;&#234;&#158;&#246;           > 80 EA EA 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000013B91AFEB70, 16 bytes long.
 Data: <@&#233;&#234;&#158;&#246;           > 40 E9 EA 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013B91AFF430, 16 bytes long.
 Data: <&#248;W&#231;&#158;&#246;           > F8 57 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013B91AFEAD0, 16 bytes long.
 Data: <&#216;W&#231;&#158;&#246;           > D8 57 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013B91AFF250, 16 bytes long.
 Data: <P &#231;&#158;&#246;           > 50 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013B91AFEE40, 16 bytes long.
 Data: <0 &#231;&#158;&#246;           > 30 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013B91AFEDF0, 16 bytes long.
 Data: <&#224; &#231;&#158;&#246;           > E0 02 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013B91AFEC60, 16 bytes long.
 Data: <  &#231;&#158;&#246;           > 10 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013B91AFEDA0, 16 bytes long.
 Data: <p &#231;&#158;&#246;           > 70 04 E7 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013B91AFE7B0, 16 bytes long.
 Data: < &#192;&#229;&#158;&#246;           > 18 C0 E5 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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