Task 38598970

Name BACE_A16_A34_r0_2-QUICO_ATM_GAFF2_NAGL_BACE-1-6-RND3369_0
Workunit 31553984
Created 8 Apr 2026, 13:41:52 UTC
Sent 8 Apr 2026, 13:42:01 UTC
Report deadline 13 Apr 2026, 13:42:01 UTC
Received 8 Apr 2026, 13:45:55 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 642172
Run time 2 min 17 sec
CPU time 7 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 45.90 MB
Peak swap size 33.22 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>
08:44:04 (23708): wrapper (7.9.26016): starting
08:44:04 (23708): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A34_0.pdb
QB_A16_A34_0.xml
QB_A16_A34.inpcrd
QB_A16_A34_input.yaml
QB_A16_A34.pdb
QB_A16_A34.prmtop
QB_A16_A34_sys.xml
run.bat
run.sh
08:44:06 (23708): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:44:06 (23708): 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 0x000082f8 (most recent call first):
  <no Python frame>
08:44:46 (23708): C:/Windows/system32/cmd.exe exited; CPU time 7.671875
08:44:46 (23708): app exit status: 0x16
08:44:46 (23708): 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: 812143 bytes.
Dumping objects ->
{3835553} normal block at 0x000002795F550F80, 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 0x000002795F551450, 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 0x000002795F5509D0, 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 0x000002795D5F2770, 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 0x000002795D5F2700, 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 0x000002795F47C530, 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 0x000002795F48F8C0, 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 0x000002795D5F3760, 8 bytes long.
 Data: <  &#166;]y   > 00 00 A6 5D 79 02 00 00 
{3834689} normal block at 0x000002795F48F810, 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 0x000002795D5F3F30, 8 bytes long.
 Data: <`&#231;!_y   > 60 E7 21 5F 79 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002795D5F54E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002795D5721A0, 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 0x000002795D5F3E90, 16 bytes long.
 Data: <&#200;5_]y           > C8 35 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002795D5F4340, 16 bytes long.
 Data: <&#160;5_]y           > A0 35 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002795D5ED810, 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 0x000002795D5F4390, 16 bytes long.
 Data: <x5_]y           > 78 35 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002795D5F3EE0, 16 bytes long.
 Data: <P5_]y           > 50 35 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002795D5F3710, 16 bytes long.
 Data: <(5_]y           > 28 35 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002795D5EFA80, 16 bytes long.
 Data: < 5_]y           > 00 35 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002795D5F29A0, 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 0x000002795D5EF940, 16 bytes long.
 Data: <&#216;/_]y           > D8 2F 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002795D5EE4D0, 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 0x000002795D5EF8F0, 16 bytes long.
 Data: <&#176;/_]y           > B0 2F 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002795D5EF710, 16 bytes long.
 Data: < /_]y           > 88 2F 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002795D5EF8A0, 16 bytes long.
 Data: <`/_]y           > 60 2F 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002795D5EF6C0, 16 bytes long.
 Data: <8/_]y           > 38 2F 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002795D5EF350, 16 bytes long.
 Data: < /_]y           > 10 2F 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002795D5EF260, 16 bytes long.
 Data: <&#232;._]y           > E8 2E 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002795D5EDF90, 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 0x000002795D5EF800, 16 bytes long.
 Data: <&#192;._]y           > C0 2E 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002795D5F2EC0, 320 bytes long.
 Data: < &#248;^]y    &#223;^]y   > 00 F8 5E 5D 79 02 00 00 90 DF 5E 5D 79 02 00 00 
{274} normal block at 0x000002795D5EF0D0, 16 bytes long.
 Data: <&#224;4_]y           > E0 34 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002795D5EEF90, 16 bytes long.
 Data: <&#184;4_]y           > B8 34 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002795D5ED9F0, 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 0x000002795D5EF7B0, 16 bytes long.
 Data: < 4_]y           > 90 34 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002795D5EE050, 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 0x000002795D5EF760, 16 bytes long.
 Data: <&#216;3_]y           > D8 33 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002795D5EEEA0, 16 bytes long.
 Data: <&#176;3_]y           > B0 33 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002795D5EEBD0, 16 bytes long.
 Data: < 3_]y           > 88 33 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002795D5EEB80, 16 bytes long.
 Data: <`3_]y           > 60 33 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002795D5EF170, 16 bytes long.
 Data: <83_]y           > 38 33 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002795D5EF580, 16 bytes long.
 Data: < 3_]y           > 10 33 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002795D5EF2B0, 16 bytes long.
 Data: <@,_]y           > 40 2C 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002795D5F2C40, 40 bytes long.
 Data: <&#176;&#242;^]y   0&#197;G_y   > B0 F2 5E 5D 79 02 00 00 30 C5 47 5F 79 02 00 00 
{260} normal block at 0x000002795D5EED60, 16 bytes long.
 Data: <&#240;2_]y           > F0 32 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002795D5EEC70, 16 bytes long.
 Data: <&#200;2_]y           > C8 32 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002795D5EE5F0, 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 0x000002795D5EF210, 16 bytes long.
 Data: <&#160;2_]y           > A0 32 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002795D5F32A0, 992 bytes long.
 Data: < &#242;^]y   &#240;&#229;^]y   > 10 F2 5E 5D 79 02 00 00 F0 E5 5E 5D 79 02 00 00 
{92} normal block at 0x000002795D5ED7B0, 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 0x000002795D5EF9E0, 16 bytes long.
 Data: <&#224;'_]y           > E0 27 5F 5D 79 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002795D5F27E0, 40 bytes long.
 Data: <&#224;&#249;^]y   &#176;&#215;^]y   > E0 F9 5E 5D 79 02 00 00 B0 D7 5E 5D 79 02 00 00 
{69} normal block at 0x000002795D5EF030, 16 bytes long.
 Data: < &#234;&#232; &#246;           > 80 EA E8 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002795D5EF5D0, 16 bytes long.
 Data: <@&#233;&#232; &#246;           > 40 E9 E8 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002795D5EF080, 16 bytes long.
 Data: <&#248;W&#229; &#246;           > F8 57 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002795D5EED10, 16 bytes long.
 Data: <&#216;W&#229; &#246;           > D8 57 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002795D5EF530, 16 bytes long.
 Data: <P &#229; &#246;           > 50 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002795D5EF850, 16 bytes long.
 Data: <0 &#229; &#246;           > 30 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002795D5EEDB0, 16 bytes long.
 Data: <&#224; &#229; &#246;           > E0 02 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002795D5EF620, 16 bytes long.
 Data: <  &#229; &#246;           > 10 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002795D5B4010, 16 bytes long.
 Data: <p &#229; &#246;           > 70 04 E5 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002795D5B35C0, 16 bytes long.
 Data: < &#192;&#227; &#246;           > 18 C0 E3 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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