Task 38644189

Name shp2_A20_A18_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7100_7
Workunit 31589716
Created 8 May 2026, 7:13:48 UTC
Sent 8 May 2026, 7:13:52 UTC
Report deadline 13 May 2026, 7:13:52 UTC
Received 8 May 2026, 7:17:03 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 14 sec
CPU time 3 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 8,885.48 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 49.58 MB
Peak swap size 36.82 MB
Peak disk usage 1.52 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
02:14:54 (33980): wrapper (7.9.26016): starting
02:14:54 (33980): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A18_0.pdb
QB_A20_A18_0.xml
QB_A20_A18.inpcrd
QB_A20_A18_input.yaml
QB_A20_A18.pdb
QB_A20_A18.prmtop
QB_A20_A18_sys.xml
run.bat
run.sh
02:14:55 (33980): Library/usr/bin/tar.exe exited; CPU time 0.031250
02:14:55 (33980): 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 0x00003510 (most recent call first):
  <no Python frame>
02:15:16 (33980): C:/Windows/system32/cmd.exe exited; CPU time 3.265625
02:15:16 (33980): app exit status: 0x16
02:15:16 (33980): 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: 698187 bytes.
Dumping objects ->
{3835593} normal block at 0x000002A2F05003F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835582} normal block at 0x000002A2F0500620, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835571} normal block at 0x000002A2F0500310, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835560} normal block at 0x000002A2F0500230, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835549} normal block at 0x000002A2F0500380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835518} normal block at 0x000002A2F2364B80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x000002A2F237E260, 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) : {3835504} normal block at 0x000002A2F0504540, 8 bytes long.
 Data: <  &#243;&#241;&#162;   > 00 00 F3 F1 A2 02 00 00 
{3834703} normal block at 0x000002A2F237E1B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000002A2F0503F00, 8 bytes long.
 Data: <&#208;&#230; &#242;&#162;   > D0 E6 1A F2 A2 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000002A2F04F96F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A2F0481C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000002A2F0504590, 16 bytes long.
 Data: <&#232;5P&#240;&#162;           > E8 35 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A2F0504400, 16 bytes long.
 Data: <&#192;5P&#240;&#162;           > C0 35 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A2F04FBFF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000002A2F05044A0, 16 bytes long.
 Data: < 5P&#240;&#162;           > 98 35 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A2F0504450, 16 bytes long.
 Data: <p5P&#240;&#162;           > 70 35 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A2F04FEF30, 16 bytes long.
 Data: <H5P&#240;&#162;           > 48 35 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A2F04FEEE0, 16 bytes long.
 Data: < 5P&#240;&#162;           > 20 35 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A2F04FFF90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000002A2F04FEE90, 16 bytes long.
 Data: <h&#226;O&#240;&#162;           > 68 E2 4F F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A2F04FBC30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000002A2F04FF3E0, 16 bytes long.
 Data: <@&#226;O&#240;&#162;           > 40 E2 4F F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A2F04FF2F0, 16 bytes long.
 Data: < &#226;O&#240;&#162;           > 18 E2 4F F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A2F04FEE40, 16 bytes long.
 Data: <&#240;&#225;O&#240;&#162;           > F0 E1 4F F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A2F04FEB70, 16 bytes long.
 Data: <&#200;&#225;O&#240;&#162;           > C8 E1 4F F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A2F04FF2A0, 16 bytes long.
 Data: <&#160;&#225;O&#240;&#162;           > A0 E1 4F F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A2F04FEB20, 16 bytes long.
 Data: <x&#225;O&#240;&#162;           > 78 E1 4F F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A2F04FB9F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000002A2F04FF8E0, 16 bytes long.
 Data: <P&#225;O&#240;&#162;           > 50 E1 4F F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A2F04FE150, 320 bytes long.
 Data: <&#224;&#248;O&#240;&#162;   &#240;&#185;O&#240;&#162;   > E0 F8 4F F0 A2 02 00 00 F0 B9 4F F0 A2 02 00 00 
{266} normal block at 0x000002A2F04FF660, 16 bytes long.
 Data: < 5P&#240;&#162;           > 00 35 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A2F04FF890, 16 bytes long.
 Data: <&#216;4P&#240;&#162;           > D8 34 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A2F04FB570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000002A2F04FF160, 16 bytes long.
 Data: <&#176;4P&#240;&#162;           > B0 34 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A2F04FBED0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000002A2F04FEDF0, 16 bytes long.
 Data: <&#248;3P&#240;&#162;           > F8 33 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A2F04FF020, 16 bytes long.
 Data: <&#208;3P&#240;&#162;           > D0 33 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A2F04FED00, 16 bytes long.
 Data: <&#168;3P&#240;&#162;           > A8 33 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A2F04FECB0, 16 bytes long.
 Data: < 3P&#240;&#162;           > 80 33 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A2F04FEC10, 16 bytes long.
 Data: <X3P&#240;&#162;           > 58 33 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A2F04FF930, 16 bytes long.
 Data: <03P&#240;&#162;           > 30 33 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002A2F04FEC60, 16 bytes long.
 Data: <&#224; P&#240;&#162;           > E0 00 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002A2F05000E0, 40 bytes long.
 Data: <`&#236;O&#240;&#162;    K6&#242;&#162;   > 60 EC 4F F0 A2 02 00 00 80 4B 36 F2 A2 02 00 00 
{252} normal block at 0x000002A2F04FF840, 16 bytes long.
 Data: < 3P&#240;&#162;           > 10 33 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002A2F04FEFD0, 16 bytes long.
 Data: <&#232;2P&#240;&#162;           > E8 32 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002A2F04FB390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000002A2F04FF5C0, 16 bytes long.
 Data: <&#192;2P&#240;&#162;           > C0 32 50 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000002A2F05032C0, 992 bytes long.
 Data: <&#192;&#245;O&#240;&#162;    &#179;O&#240;&#162;   > C0 F5 4F F0 A2 02 00 00 90 B3 4F F0 A2 02 00 00 
{84} normal block at 0x000002A2F04FB8D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000002A2F04FF700, 16 bytes long.
 Data: <0&#224;G&#240;&#162;           > 30 E0 47 F0 A2 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002A2F047E030, 40 bytes long.
 Data: < &#247;O&#240;&#162;   &#208;&#184;O&#240;&#162;   > 00 F7 4F F0 A2 02 00 00 D0 B8 4F F0 A2 02 00 00 
{61} normal block at 0x000002A2F04FF200, 16 bytes long.
 Data: < &#234;&#212;0&#246;           > 80 EA D4 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A2F04FF430, 16 bytes long.
 Data: <@&#233;&#212;0&#246;           > 40 E9 D4 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A2F04FF1B0, 16 bytes long.
 Data: <&#248;W&#209;0&#246;           > F8 57 D1 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A2F04FF250, 16 bytes long.
 Data: <&#216;W&#209;0&#246;           > D8 57 D1 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002A2F04FED50, 16 bytes long.
 Data: <P &#209;0&#246;           > 50 04 D1 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002A2F04FF390, 16 bytes long.
 Data: <0 &#209;0&#246;           > 30 04 D1 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002A2F04FF980, 16 bytes long.
 Data: <&#224; &#209;0&#246;           > E0 02 D1 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002A2F04C2AC0, 16 bytes long.
 Data: <  &#209;0&#246;           > 10 04 D1 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002A2F04C2A70, 16 bytes long.
 Data: <p &#209;0&#246;           > 70 04 D1 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002A2F04C2CF0, 16 bytes long.
 Data: < &#192;&#207;0&#246;           > 18 C0 CF 30 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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