Task 38610057

Name hif2a_A04_A40_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-2-6-RND3429_1
Workunit 31562344
Created 15 Apr 2026, 5:52:49 UTC
Sent 15 Apr 2026, 5:53:17 UTC
Report deadline 20 Apr 2026, 5:53:17 UTC
Received 15 Apr 2026, 6:04:39 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 651966
Run time 1 min 11 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 9,653.11 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 116.66 MB
Peak swap size 11.95 GB
Peak disk usage 1.46 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(null) nelze spustit.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:02:46 (7580): wrapper (7.9.26016): starting
08:02:46 (7580): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A40_0.pdb
QB_A04_A40_0.xml
QB_A04_A40.inpcrd
QB_A04_A40_input.yaml
QB_A04_A40.pdb
QB_A04_A40.prmtop
QB_A04_A40_sys.xml
run.bat
run.sh
08:02:47 (7580): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:02:47 (7580): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\25\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\25\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.
Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "C:\ProgramData\BOINC\slots\25\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\rbfe_production.py", line 10, in rbfe_production
    from atom_openmm.openmm_async_re import openmm_job_RBFE
  File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\openmm_async_re.py", line 11, in <module>
    from openmm.app import *
  File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\openmm\app\__init__.py", line 19, in <module>
    from .forcefield import ForceField
  File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\openmm\app\forcefield.py", line 48, in <module>
    from openmm.app.internal import compiled
ImportError: DLL load failed while importing compiled: Z&#225;sada &#248;&#237;zen&#237; aplikac&#237; tento soubor zablokovala.
08:03:19 (7580): C:/Windows/system32/cmd.exe exited; CPU time 2.218750
08:03:19 (7580): app exit status: 0x16
08:03:19 (7580): called boinc_finish(195)
0 bytes in 0 Free Blocks.
656 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: 597843 bytes.
Dumping objects ->
{3835679} normal block at 0x0000021E334DCB90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835668} normal block at 0x0000021E334DCF10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835657} normal block at 0x0000021E31854AF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835646} normal block at 0x0000021E31854A80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835635} normal block at 0x0000021E318548C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835604} normal block at 0x0000021E33527F40, 64 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 0x0000021E3184B770, 200 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) : {3835590} normal block at 0x0000021E3184D970, 8 bytes long.
 Data: <  &#197;1    > 00 00 C5 31 1E 02 00 00 
{3834756} normal block at 0x0000021E3184B660, 200 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 0x0000021E3184DBF0, 8 bytes long.
 Data: < &#214; 1    > 20 D6 83 31 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021E318412D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021E31841B90, 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 0x0000021E31855AA0, 16 bytes long.
 Data: < e&#133;1            > 18 65 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021E31855460, 16 bytes long.
 Data: <&#240;d&#133;1            > F0 64 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021E31850620, 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 0x0000021E31855F50, 16 bytes long.
 Data: <&#200;d&#133;1            > C8 64 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021E31855910, 16 bytes long.
 Data: <&#160;d&#133;1            > A0 64 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021E31855B40, 16 bytes long.
 Data: <xd&#133;1            > 78 64 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021E31855410, 16 bytes long.
 Data: <Pd&#133;1            > 50 64 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021E31854930, 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 0x0000021E31855E60, 16 bytes long.
 Data: <8&#253; 1            > 38 FD 83 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021E31851520, 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 0x0000021E31855A00, 16 bytes long.
 Data: < &#253; 1            > 10 FD 83 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E318553C0, 16 bytes long.
 Data: <&#232;&#252; 1            > E8 FC 83 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021E31856040, 16 bytes long.
 Data: <&#192;&#252; 1            > C0 FC 83 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021E31855DC0, 16 bytes long.
 Data: < &#252; 1            > 98 FC 83 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021E31855E10, 16 bytes long.
 Data: <p&#252; 1            > 70 FC 83 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021E31855CD0, 16 bytes long.
 Data: <H&#252; 1            > 48 FC 83 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021E318506E0, 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 0x0000021E318555F0, 16 bytes long.
 Data: < &#252; 1            > 20 FC 83 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021E3183FC20, 320 bytes long.
 Data: <&#240;U&#133;1    &#224; &#133;1    > F0 55 85 31 1E 02 00 00 E0 06 85 31 1E 02 00 00 
{274} normal block at 0x0000021E31855370, 16 bytes long.
 Data: <0d&#133;1            > 30 64 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021E318560E0, 16 bytes long.
 Data: < d&#133;1            > 08 64 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E31850C80, 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 0x0000021E31855730, 16 bytes long.
 Data: <&#224;c&#133;1            > E0 63 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021E31850C20, 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 0x0000021E31856090, 16 bytes long.
 Data: <(c&#133;1            > 28 63 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021E31855960, 16 bytes long.
 Data: < c&#133;1            > 00 63 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E31855D70, 16 bytes long.
 Data: <&#216;b&#133;1            > D8 62 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021E31855690, 16 bytes long.
 Data: <&#176;b&#133;1            > B0 62 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021E31856180, 16 bytes long.
 Data: < b&#133;1            > 88 62 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021E31855640, 16 bytes long.
 Data: <`b&#133;1            > 60 62 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021E31855F00, 16 bytes long.
 Data: < G&#133;1            > 00 47 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021E31854700, 40 bytes long.
 Data: < _&#133;1    @ R3    > 00 5F 85 31 1E 02 00 00 40 7F 52 33 1E 02 00 00 
{260} normal block at 0x0000021E31856130, 16 bytes long.
 Data: <@b&#133;1            > 40 62 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021E318556E0, 16 bytes long.
 Data: < b&#133;1            > 18 62 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021E31851340, 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 0x0000021E31855320, 16 bytes long.
 Data: <&#240;a&#133;1            > F0 61 85 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021E318561F0, 992 bytes long.
 Data: < S&#133;1    @ &#133;1    > 20 53 85 31 1E 02 00 00 40 13 85 31 1E 02 00 00 
{92} normal block at 0x0000021E31851220, 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 0x0000021E3184D1A0, 16 bytes long.
 Data: <@&#226; 1            > 40 E2 83 31 1E 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021E3183E240, 40 bytes long.
 Data: <&#160;&#209;&#132;1      &#133;1    > A0 D1 84 31 1E 02 00 00 20 12 85 31 1E 02 00 00 
{69} normal block at 0x0000021E3184D510, 16 bytes long.
 Data: < &#234;&#174;&#252;&#246;           > 80 EA AE FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021E3184D6F0, 16 bytes long.
 Data: <@&#233;&#174;&#252;&#246;           > 40 E9 AE FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021E3184DBA0, 16 bytes long.
 Data: <&#248;W&#171;&#252;&#246;           > F8 57 AB FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021E3184D880, 16 bytes long.
 Data: <&#216;W&#171;&#252;&#246;           > D8 57 AB FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021E3184D830, 16 bytes long.
 Data: <P &#171;&#252;&#246;           > 50 04 AB FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021E3184DC40, 16 bytes long.
 Data: <0 &#171;&#252;&#246;           > 30 04 AB FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021E3184D380, 16 bytes long.
 Data: <&#224; &#171;&#252;&#246;           > E0 02 AB FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021E3184CED0, 16 bytes long.
 Data: <  &#171;&#252;&#246;           > 10 04 AB FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021E3184D060, 16 bytes long.
 Data: <p &#171;&#252;&#246;           > 70 04 AB FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021E3184D4C0, 16 bytes long.
 Data: < &#192;&#169;&#252;&#246;           > 18 C0 A9 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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