Task 38599076

Name BACE_A18_A21_r0_4-QUICO_ATM_GAFF2_NAGL_BACE-1-6-RND7103_0
Workunit 31554067
Created 8 Apr 2026, 14:48:08 UTC
Sent 8 Apr 2026, 14:48:14 UTC
Report deadline 13 Apr 2026, 14:48:14 UTC
Received 8 Apr 2026, 15:09:01 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 40 sec
CPU time 9 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 8,885.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 44.41 MB
Peak swap size 31.99 MB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:06:53 (21424): wrapper (7.9.26016): starting
10:06:53 (21424): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A21_0.pdb
QB_A18_A21_0.xml
QB_A18_A21.inpcrd
QB_A18_A21_input.yaml
QB_A18_A21.pdb
QB_A18_A21.prmtop
QB_A18_A21_sys.xml
run.bat
run.sh
10:06:55 (21424): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:06:55 (21424): 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 0x000064e8 (most recent call first):
  <no Python frame>
10:07:26 (21424): C:/Windows/system32/cmd.exe exited; CPU time 9.968750
10:07:26 (21424): app exit status: 0x16
10:07:26 (21424): 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: 654273 bytes.
Dumping objects ->
{3835553} normal block at 0x00000233F2080FA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x00000233F20814E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x00000233F2081080, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835520} normal block at 0x00000233F0293B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835509} normal block at 0x00000233F02939A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835478} normal block at 0x00000233F1FA89F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x00000233F1FC0B10, 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) : {3835464} normal block at 0x00000233F02953C0, 8 bytes long.
 Data: <  ^&#240;3   > 00 00 5E F0 33 02 00 00 
{3834689} normal block at 0x00000233F1FC0380, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000233F0294BA0, 8 bytes long.
 Data: <&#224;  &#242;3   > E0 01 08 F2 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000233F0295C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000233F02122A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000233F0294970, 16 bytes long.
 Data: <(C)&#240;3           > 28 43 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000233F02945B0, 16 bytes long.
 Data: < C)&#240;3           > 00 43 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000233F028EFF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000233F02950A0, 16 bytes long.
 Data: <&#216;B)&#240;3           > D8 42 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000233F0294C40, 16 bytes long.
 Data: <&#176;B)&#240;3           > B0 42 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000233F0295320, 16 bytes long.
 Data: < B)&#240;3           > 88 42 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000233F028FF70, 16 bytes long.
 Data: <`B)&#240;3           > 60 42 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000233F0293620, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000233F028FED0, 16 bytes long.
 Data: <8=)&#240;3           > 38 3D 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000233F028EF90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000233F02907E0, 16 bytes long.
 Data: < =)&#240;3           > 10 3D 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000233F02906F0, 16 bytes long.
 Data: <&#232;<)&#240;3           > E8 3C 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000233F0290100, 16 bytes long.
 Data: <&#192;<)&#240;3           > C0 3C 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000233F028FE30, 16 bytes long.
 Data: < <)&#240;3           > 98 3C 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000233F0290010, 16 bytes long.
 Data: <p<)&#240;3           > 70 3C 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000233F028FC00, 16 bytes long.
 Data: <H<)&#240;3           > 48 3C 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000233F028E870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000233F028FCA0, 16 bytes long.
 Data: < <)&#240;3           > 20 3C 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000233F0293C20, 320 bytes long.
 Data: <&#160;&#252;(&#240;3   p&#232;(&#240;3   > A0 FC 28 F0 33 02 00 00 70 E8 28 F0 33 02 00 00 
{274} normal block at 0x00000233F0290380, 16 bytes long.
 Data: <@B)&#240;3           > 40 42 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000233F028FD90, 16 bytes long.
 Data: < B)&#240;3           > 18 42 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000233F028EB70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000233F02902E0, 16 bytes long.
 Data: <&#240;A)&#240;3           > F0 41 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000233F028EDB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000233F02906A0, 16 bytes long.
 Data: <8A)&#240;3           > 38 41 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000233F0290600, 16 bytes long.
 Data: < A)&#240;3           > 10 41 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000233F02904C0, 16 bytes long.
 Data: <&#232;@)&#240;3           > E8 40 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000233F0290420, 16 bytes long.
 Data: <&#192;@)&#240;3           > C0 40 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000233F028FE80, 16 bytes long.
 Data: < @)&#240;3           > 98 40 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000233F0290650, 16 bytes long.
 Data: <p@)&#240;3           > 70 40 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000233F028FBB0, 16 bytes long.
 Data: < :)&#240;3           > 10 3A 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000233F0293A10, 40 bytes long.
 Data: <&#176;&#251;(&#240;3   &#240;&#137;&#250;&#241;3   > B0 FB 28 F0 33 02 00 00 F0 89 FA F1 33 02 00 00 
{260} normal block at 0x00000233F0290290, 16 bytes long.
 Data: <P@)&#240;3           > 50 40 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000233F0290150, 16 bytes long.
 Data: <(@)&#240;3           > 28 40 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000233F028F1D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000233F028FA20, 16 bytes long.
 Data: < @)&#240;3           > 00 40 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000233F0294000, 992 bytes long.
 Data: < &#250;(&#240;3   &#208;&#241;(&#240;3   > 20 FA 28 F0 33 02 00 00 D0 F1 28 F0 33 02 00 00 
{92} normal block at 0x00000233F028E7B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000233F028FDE0, 16 bytes long.
 Data: <@5)&#240;3           > 40 35 29 F0 33 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000233F0293540, 40 bytes long.
 Data: <&#224;&#253;(&#240;3   &#176;&#231;(&#240;3   > E0 FD 28 F0 33 02 00 00 B0 E7 28 F0 33 02 00 00 
{69} normal block at 0x00000233F028F9D0, 16 bytes long.
 Data: < &#234;vl&#247;           > 80 EA 76 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000233F028FF20, 16 bytes long.
 Data: <@&#233;vl&#247;           > 40 E9 76 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000233F028FCF0, 16 bytes long.
 Data: <&#248;Wsl&#247;           > F8 57 73 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000233F0290830, 16 bytes long.
 Data: <&#216;Wsl&#247;           > D8 57 73 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000233F0290060, 16 bytes long.
 Data: <P sl&#247;           > 50 04 73 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000233F0290510, 16 bytes long.
 Data: <0 sl&#247;           > 30 04 73 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000233F028FFC0, 16 bytes long.
 Data: <&#224; sl&#247;           > E0 02 73 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000233F028FB10, 16 bytes long.
 Data: <  sl&#247;           > 10 04 73 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000233F0254820, 16 bytes long.
 Data: <p sl&#247;           > 70 04 73 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000233F0254280, 16 bytes long.
 Data: < &#192;ql&#247;           > 18 C0 71 6C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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