Task 38630611

Name MCL1_RE_A40_A09_r0_4-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-2-6-RND1294_0
Workunit 31579856
Created 25 Apr 2026, 14:47:34 UTC
Sent 25 Apr 2026, 14:47:39 UTC
Report deadline 30 Apr 2026, 14:47:39 UTC
Received 25 Apr 2026, 15:23:08 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641073
Run time 1 min 54 sec
CPU time 9 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 50.95 MB
Peak swap size 36.93 MB
Peak disk usage 1.55 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>
10:20:22 (24708): wrapper (7.9.26016): starting
10:20:22 (24708): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A40_A09_0.pdb
QB_A40_A09_0.xml
QB_A40_A09.inpcrd
QB_A40_A09_input.yaml
QB_A40_A09.pdb
QB_A40_A09.prmtop
QB_A40_A09_sys.xml
run.bat
run.sh
10:20:24 (24708): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:20:24 (24708): 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\2\Library\etc\OpenCL\vendors\temp.txt
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\2\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\2\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\2\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\2\Lib'
  sys._base_executable = 'C:\\ProgramData\\BOINC\\slots\\2\\python.exe'
  sys.base_prefix = 'C:\\ProgramData\\BOINC\\slots\\2'
  sys.base_exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\2'
  sys.platlibdir = 'DLLs'
  sys.executable = 'C:\\ProgramData\\BOINC\\slots\\2\\python.exe'
  sys.prefix = 'C:\\ProgramData\\BOINC\\slots\\2'
  sys.exec_prefix = 'C:\\ProgramData\\BOINC\\slots\\2'
  sys.path = [
    'C:\\ProgramData\\BOINC\\slots\\2\\Lib\\python3.11\\site-packages',
    'C:\\ProgramData\\BOINC\\slots\\2\\python311.zip',
    'C:\\ProgramData\\BOINC\\slots\\2\\DLLs',
    'C:\\ProgramData\\BOINC\\slots\\2\\Lib',
    'C:\\ProgramData\\BOINC\\slots\\2',
  ]
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 0x00009cd0 (most recent call first):
  <no Python frame>
10:21:07 (24708): C:/Windows/system32/cmd.exe exited; CPU time 9.000000
10:21:07 (24708): app exit status: 0x16
10:21:07 (24708): 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: 1143155 bytes.
Dumping objects ->
{3835604} normal block at 0x0000023580931C00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835593} normal block at 0x0000023580931B90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835582} normal block at 0x0000023580931B20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835571} normal block at 0x0000023580931AB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835560} normal block at 0x00000235809319D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835529} normal block at 0x00000235826D8460, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x00000235826EE430, 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) : {3835515} normal block at 0x000002358092DDA0, 8 bytes long.
 Data: <  6&#130;5   > 00 00 36 82 35 02 00 00 
{3834709} normal block at 0x00000235826EE4E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000002358092D940, 8 bytes long.
 Data: < gs&#130;5   > 00 67 73 82 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000023580934AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000235808B1BA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000235809327A0, 16 bytes long.
 Data: <&#232;"&#147; 5           > E8 22 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023580932570, 16 bytes long.
 Data: <&#192;"&#147; 5           > C0 22 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002358092A330, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000235809324D0, 16 bytes long.
 Data: < "&#147; 5           > 98 22 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023580933380, 16 bytes long.
 Data: <p"&#147; 5           > 70 22 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023580932480, 16 bytes long.
 Data: <H"&#147; 5           > 48 22 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000235809331F0, 16 bytes long.
 Data: < "&#147; 5           > 20 22 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023580931A40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000235809331A0, 16 bytes long.
 Data: <&#248;&#207;&#146; 5           > F8 CF 92 80 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000235809297F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000235809327F0, 16 bytes long.
 Data: <&#208;&#207;&#146; 5           > D0 CF 92 80 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000235809326B0, 16 bytes long.
 Data: <&#168;&#207;&#146; 5           > A8 CF 92 80 35 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023580933100, 16 bytes long.
 Data: < &#207;&#146; 5           > 80 CF 92 80 35 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023580932C50, 16 bytes long.
 Data: <X&#207;&#146; 5           > 58 CF 92 80 35 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023580932890, 16 bytes long.
 Data: <0&#207;&#146; 5           > 30 CF 92 80 35 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023580933330, 16 bytes long.
 Data: < &#207;&#146; 5           > 08 CF 92 80 35 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002358092A150, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000023580932FC0, 16 bytes long.
 Data: <&#224;&#206;&#146; 5           > E0 CE 92 80 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002358092CEE0, 320 bytes long.
 Data: <&#192;/&#147; 5   P&#161;&#146; 5   > C0 2F 93 80 35 02 00 00 50 A1 92 80 35 02 00 00 
{269} normal block at 0x0000023580932C00, 16 bytes long.
 Data: < "&#147; 5           > 00 22 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023580932750, 16 bytes long.
 Data: <&#216;!&#147; 5           > D8 21 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023580929DF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000023580932CF0, 16 bytes long.
 Data: <&#176;!&#147; 5           > B0 21 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023580929D90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000023580933150, 16 bytes long.
 Data: <&#248; &#147; 5           > F8 20 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023580932DE0, 16 bytes long.
 Data: <&#208; &#147; 5           > D0 20 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002358092D670, 16 bytes long.
 Data: <&#168; &#147; 5           > A8 20 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002358092D300, 16 bytes long.
 Data: <  &#147; 5           > 80 20 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002358092D2B0, 16 bytes long.
 Data: <X &#147; 5           > 58 20 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002358092DA80, 16 bytes long.
 Data: <0 &#147; 5           > 30 20 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002358092DFD0, 16 bytes long.
 Data: <&#192; &#147; 5           > C0 16 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000235809316C0, 40 bytes long.
 Data: <&#208;&#223;&#146; 5   `&#132;m&#130;5   > D0 DF 92 80 35 02 00 00 60 84 6D 82 35 02 00 00 
{255} normal block at 0x000002358092DF30, 16 bytes long.
 Data: <  &#147; 5           > 10 20 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002358092D8A0, 16 bytes long.
 Data: <&#232; &#147; 5           > E8 1F 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002358092A210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000002358092DDF0, 16 bytes long.
 Data: <&#192; &#147; 5           > C0 1F 93 80 35 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000023580931FC0, 992 bytes long.
 Data: <&#240;&#221;&#146; 5    &#162;&#146; 5   > F0 DD 92 80 35 02 00 00 10 A2 92 80 35 02 00 00 
{87} normal block at 0x0000023580929BB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000002358092D760, 16 bytes long.
 Data: <&#192;&#225;&#138; 5           > C0 E1 8A 80 35 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000235808AE1C0, 40 bytes long.
 Data: <`&#215;&#146; 5   &#176;&#155;&#146; 5   > 60 D7 92 80 35 02 00 00 B0 9B 92 80 35 02 00 00 
{64} normal block at 0x000002358092D4E0, 16 bytes long.
 Data: < &#234; 9&#247;           > 80 EA 17 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002358092DB70, 16 bytes long.
 Data: <@&#233; 9&#247;           > 40 E9 17 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002358092E110, 16 bytes long.
 Data: <&#248;W 9&#247;           > F8 57 14 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002358092D710, 16 bytes long.
 Data: <&#216;W 9&#247;           > D8 57 14 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002358092D530, 16 bytes long.
 Data: <P  9&#247;           > 50 04 14 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002358092DC60, 16 bytes long.
 Data: <0  9&#247;           > 30 04 14 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002358092D490, 16 bytes long.
 Data: <&#224;  9&#247;           > E0 02 14 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002358092E070, 16 bytes long.
 Data: <   9&#247;           > 10 04 14 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002358092DD00, 16 bytes long.
 Data: <p  9&#247;           > 70 04 14 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002358092D8F0, 16 bytes long.
 Data: < &#192; 9&#247;           > 18 C0 12 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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