Task 38611500

Name CDK2_A16_A10_r0_1-QUICO_ATM_OpenFF_CDK2-4-6-RND9494_0
Workunit 31564229
Created 15 Apr 2026, 20:13:56 UTC
Sent 15 Apr 2026, 20:14:03 UTC
Report deadline 20 Apr 2026, 20:14:03 UTC
Received 15 Apr 2026, 20:28:47 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 641073
Run time 8 min 7 sec
CPU time 13 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 56.22 MB
Peak swap size 40.09 MB
Peak disk usage 4.22 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>
15:26:25 (32460): wrapper (7.9.26016): starting
15:26:25 (32460): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A10_0.pdb
QB_A16_A10_0.xml
QB_A16_A10.inpcrd
QB_A16_A10_input.yaml
QB_A16_A10.pdb
QB_A16_A10.prmtop
QB_A16_A10_sys.xml
run.bat
run.sh
15:26:28 (32460): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:26:28 (32460): 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 0x0000517c (most recent call first):
  <no Python frame>
15:27:35 (32460): C:/Windows/system32/cmd.exe exited; CPU time 13.640625
15:27:35 (32460): app exit status: 0x16
15:27:35 (32460): 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: 1502353 bytes.
Dumping objects ->
{3850295} normal block at 0x000001EC3112D340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850284} normal block at 0x000001EC2F32AFE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850273} normal block at 0x000001EC2F32AF00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850262} normal block at 0x000001EC2F32B050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850251} normal block at 0x000001EC2F32AE90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850220} normal block at 0x000001EC31185F10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850209} normal block at 0x000001EC31198DF0, 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) : {3850206} normal block at 0x000001EC2F323E10, 8 bytes long.
 Data: <  &#147;/&#236;   > 00 00 93 2F EC 01 00 00 
{3849400} normal block at 0x000001EC31198BE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3848638} normal block at 0x000001EC2F3236E0, 8 bytes long.
 Data: <PB5/&#236;   > 50 42 35 2F EC 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001EC2F32E440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EC2F2E2550, 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 0x000001EC2F32C550, 16 bytes long.
 Data: <8&#203;2/&#236;           > 38 CB 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EC2F32C410, 16 bytes long.
 Data: < &#203;2/&#236;           > 10 CB 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EC2F324CE0, 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 0x000001EC2F32BA10, 16 bytes long.
 Data: <&#232;&#202;2/&#236;           > E8 CA 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EC2F32C3C0, 16 bytes long.
 Data: <&#192;&#202;2/&#236;           > C0 CA 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EC2F32BFB0, 16 bytes long.
 Data: < &#202;2/&#236;           > 98 CA 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EC2F32B7E0, 16 bytes long.
 Data: <p&#202;2/&#236;           > 70 CA 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EC2F32B130, 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 0x000001EC2F32C500, 16 bytes long.
 Data: < z2/&#236;           > 98 7A 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EC2F324EC0, 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 0x000001EC2F32BD30, 16 bytes long.
 Data: <pz2/&#236;           > 70 7A 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EC2F32B8D0, 16 bytes long.
 Data: <Hz2/&#236;           > 48 7A 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EC2F32C1E0, 16 bytes long.
 Data: < z2/&#236;           > 20 7A 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EC2F32C280, 16 bytes long.
 Data: <&#248;y2/&#236;           > F8 79 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EC2F32C0A0, 16 bytes long.
 Data: <&#208;y2/&#236;           > D0 79 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EC2F32BAB0, 16 bytes long.
 Data: <&#168;y2/&#236;           > A8 79 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EC2F324FE0, 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 0x000001EC2F32C140, 16 bytes long.
 Data: < y2/&#236;           > 80 79 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EC2F327980, 320 bytes long.
 Data: <@&#193;2/&#236;   &#224;O2/&#236;   > 40 C1 32 2F EC 01 00 00 E0 4F 32 2F EC 01 00 00 
{277} normal block at 0x000001EC2F32BBF0, 16 bytes long.
 Data: <P&#202;2/&#236;           > 50 CA 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EC2F32B6A0, 16 bytes long.
 Data: <(&#202;2/&#236;           > 28 CA 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EC2F324F80, 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 0x000001EC2F32C4B0, 16 bytes long.
 Data: < &#202;2/&#236;           > 00 CA 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EC2F325160, 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 0x000001EC2F32B790, 16 bytes long.
 Data: <H&#201;2/&#236;           > 48 C9 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EC2F32BCE0, 16 bytes long.
 Data: < &#201;2/&#236;           > 20 C9 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EC2F32C0F0, 16 bytes long.
 Data: <&#248;&#200;2/&#236;           > F8 C8 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EC2F32C370, 16 bytes long.
 Data: <&#208;&#200;2/&#236;           > D0 C8 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EC2F32C230, 16 bytes long.
 Data: <&#168;&#200;2/&#236;           > A8 C8 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EC2F32B740, 16 bytes long.
 Data: < &#200;2/&#236;           > 80 C8 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EC2F32BD80, 16 bytes long.
 Data: <@&#173;2/&#236;           > 40 AD 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EC2F32AD40, 40 bytes long.
 Data: < &#189;2/&#236;    _ 1&#236;   > 80 BD 32 2F EC 01 00 00 10 5F 18 31 EC 01 00 00 
{263} normal block at 0x000001EC2F32BBA0, 16 bytes long.
 Data: <`&#200;2/&#236;           > 60 C8 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EC2F32BC40, 16 bytes long.
 Data: <8&#200;2/&#236;           > 38 C8 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EC2F324980, 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 0x000001EC2F32BEC0, 16 bytes long.
 Data: < &#200;2/&#236;           > 10 C8 32 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EC2F32C810, 992 bytes long.
 Data: <&#192;&#190;2/&#236;    I2/&#236;   > C0 BE 32 2F EC 01 00 00 80 49 32 2F EC 01 00 00 
{95} normal block at 0x000001EC2F324C80, 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 0x000001EC2F323BE0, 16 bytes long.
 Data: <&#208;&#223;-/&#236;           > D0 DF 2D 2F EC 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001EC2F2DDFD0, 40 bytes long.
 Data: <&#224;;2/&#236;    L2/&#236;   > E0 3B 32 2F EC 01 00 00 80 4C 32 2F EC 01 00 00 
{72} normal block at 0x000001EC2F323910, 16 bytes long.
 Data: < &#234;&#196;&#217;&#247;           > 80 EA C4 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EC2F3238C0, 16 bytes long.
 Data: <@&#233;&#196;&#217;&#247;           > 40 E9 C4 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EC2F323AA0, 16 bytes long.
 Data: <&#248;W&#193;&#217;&#247;           > F8 57 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EC2F323F50, 16 bytes long.
 Data: <&#216;W&#193;&#217;&#247;           > D8 57 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EC2F323B40, 16 bytes long.
 Data: <P &#193;&#217;&#247;           > 50 04 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EC2F3235F0, 16 bytes long.
 Data: <0 &#193;&#217;&#247;           > 30 04 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EC2F323C80, 16 bytes long.
 Data: <&#224; &#193;&#217;&#247;           > E0 02 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EC2F323960, 16 bytes long.
 Data: <  &#193;&#217;&#247;           > 10 04 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EC2F323FA0, 16 bytes long.
 Data: <p &#193;&#217;&#247;           > 70 04 C1 D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EC2F323870, 16 bytes long.
 Data: < &#192;&#191;&#217;&#247;           > 18 C0 BF D9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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