Task 38643555

Name shp2_A12_A26_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7846_4
Workunit 31589659
Created 7 May 2026, 15:33:25 UTC
Sent 7 May 2026, 15:33:28 UTC
Report deadline 12 May 2026, 15:33:28 UTC
Received 7 May 2026, 15:37:03 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 10 sec
CPU time 15 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,155.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 47.42 MB
Peak swap size 35.10 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>
10:34:37 (23812): wrapper (7.9.26016): starting
10:34:37 (23812): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A26_0.pdb
QB_A12_A26_0.xml
QB_A12_A26.inpcrd
QB_A12_A26_input.yaml
QB_A12_A26.pdb
QB_A12_A26.prmtop
QB_A12_A26_sys.xml
run.bat
run.sh
10:34:44 (23812): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:34:44 (23812): 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\6\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\6\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\6\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\6\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\6\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\6\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\6'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\6'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\6\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\6'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\6'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\6\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\6\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\6\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\6\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\6',
  ]
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 0x0000246c (most recent call first):
  <no Python frame>
10:35:44 (23812): C:/Windows/system32/cmd.exe exited; CPU time 15.234375
10:35:44 (23812): app exit status: 0x16
10:35:44 (23812): 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: 1078355 bytes.
Dumping objects ->
{3835620} normal block at 0x0000017B7E875CE0, 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 0x0000017B7CA224E0, 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 0x0000017B7CA22320, 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 0x0000017B7CA220F0, 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 0x0000017B7CA222B0, 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 0x0000017B7E8171B0, 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 0x0000017B7E82F4E0, 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 0x0000017B7CA1EBF0, 8 bytes long.
 Data: <  &#235;|{   > 00 00 EB 7C 7B 01 00 00 
{3834725} normal block at 0x0000017B7E82F7A0, 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 0x0000017B7CA1E1F0, 8 bytes long.
 Data: <p &#135;~{   > 70 06 87 7E 7B 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000017B7CA26020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017B7C99E4B0, 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 0x0000017B7CA23850, 16 bytes long.
 Data: <&#200;0&#162;|{           > C8 30 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017B7CA234E0, 16 bytes long.
 Data: <&#160;0&#162;|{           > A0 30 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017B7CA1D540, 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 0x0000017B7CA239E0, 16 bytes long.
 Data: <x0&#162;|{           > 78 30 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017B7CA23990, 16 bytes long.
 Data: <P0&#162;|{           > 50 30 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017B7CA23440, 16 bytes long.
 Data: <(0&#162;|{           > 28 30 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017B7CA23300, 16 bytes long.
 Data: < 0&#162;|{           > 00 30 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017B7CA22390, 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 0x0000017B7CA24110, 16 bytes long.
 Data: < (&#162;|{           > 08 28 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017B7CA1D4E0, 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 0x0000017B7CA237B0, 16 bytes long.
 Data: <&#224;'&#162;|{           > E0 27 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017B7CA23760, 16 bytes long.
 Data: <&#184;'&#162;|{           > B8 27 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017B7CA23F30, 16 bytes long.
 Data: < '&#162;|{           > 90 27 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017B7CA24160, 16 bytes long.
 Data: <h'&#162;|{           > 68 27 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017B7CA240C0, 16 bytes long.
 Data: <@'&#162;|{           > 40 27 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017B7CA23D00, 16 bytes long.
 Data: < '&#162;|{           > 18 27 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017B7CA1D1E0, 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 0x0000017B7CA235D0, 16 bytes long.
 Data: <&#240;&&#162;|{           > F0 26 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017B7CA226F0, 320 bytes long.
 Data: <&#208;5&#162;|{   &#224;&#209;&#161;|{   > D0 35 A2 7C 7B 01 00 00 E0 D1 A1 7C 7B 01 00 00 
{277} normal block at 0x0000017B7CA23C60, 16 bytes long.
 Data: <&#224;/&#162;|{           > E0 2F A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017B7CA23940, 16 bytes long.
 Data: <&#184;/&#162;|{           > B8 2F A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017B7CA1D660, 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 0x0000017B7CA23490, 16 bytes long.
 Data: < /&#162;|{           > 90 2F A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017B7CA1DF00, 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 0x0000017B7CA23AD0, 16 bytes long.
 Data: <&#216;.&#162;|{           > D8 2E A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017B7CA23B70, 16 bytes long.
 Data: <&#176;.&#162;|{           > B0 2E A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017B7CA236C0, 16 bytes long.
 Data: < .&#162;|{           > 88 2E A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017B7CA1E4C0, 16 bytes long.
 Data: <`.&#162;|{           > 60 2E A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017B7CA1EBA0, 16 bytes long.
 Data: <8.&#162;|{           > 38 2E A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017B7CA1E1A0, 16 bytes long.
 Data: < .&#162;|{           > 10 2E A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017B7CA1E470, 16 bytes long.
 Data: <P%&#162;|{           > 50 25 A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017B7CA22550, 40 bytes long.
 Data: <p&#228;&#161;|{   &#176;q ~{   > 70 E4 A1 7C 7B 01 00 00 B0 71 81 7E 7B 01 00 00 
{263} normal block at 0x0000017B7CA1EAB0, 16 bytes long.
 Data: <&#240;-&#162;|{           > F0 2D A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017B7CA1EEC0, 16 bytes long.
 Data: <&#200;-&#162;|{           > C8 2D A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017B7CA1D360, 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 0x0000017B7CA1E880, 16 bytes long.
 Data: <&#160;-&#162;|{           > A0 2D A2 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017B7CA22DA0, 992 bytes long.
 Data: < &#232;&#161;|{   `&#211;&#161;|{   > 80 E8 A1 7C 7B 01 00 00 60 D3 A1 7C 7B 01 00 00 
{95} normal block at 0x0000017B7CA1DC60, 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 0x0000017B7CA1EDD0, 16 bytes long.
 Data: <p&#193; |{           > 70 C1 99 7C 7B 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000017B7C99C170, 40 bytes long.
 Data: <&#208;&#237;&#161;|{   `&#220;&#161;|{   > D0 ED A1 7C 7B 01 00 00 60 DC A1 7C 7B 01 00 00 
{72} normal block at 0x0000017B7CA1EC40, 16 bytes long.
 Data: < &#234;&#193;E&#247;           > 80 EA C1 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017B7CA1E0B0, 16 bytes long.
 Data: <@&#233;&#193;E&#247;           > 40 E9 C1 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017B7CA1E740, 16 bytes long.
 Data: <&#248;W&#190;E&#247;           > F8 57 BE 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017B7CA1E330, 16 bytes long.
 Data: <&#216;W&#190;E&#247;           > D8 57 BE 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017B7CA1E380, 16 bytes long.
 Data: <P &#190;E&#247;           > 50 04 BE 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017B7CA1E060, 16 bytes long.
 Data: <0 &#190;E&#247;           > 30 04 BE 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017B7CA1ED80, 16 bytes long.
 Data: <&#224; &#190;E&#247;           > E0 02 BE 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017B7CA1E650, 16 bytes long.
 Data: <  &#190;E&#247;           > 10 04 BE 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017B7CA1E970, 16 bytes long.
 Data: <p &#190;E&#247;           > 70 04 BE 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017B7CA1EB50, 16 bytes long.
 Data: < &#192;&#188;E&#247;           > 18 C0 BC 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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