Task 38627961

Name MCL1_RE_A34_A29_r0_2-QUICO_ATM_GAFF2_NAGL_MCL1_RE-2-6-RND2996_1
Workunit 31577699
Created 24 Apr 2026, 14:42:27 UTC
Sent 24 Apr 2026, 14:42:43 UTC
Report deadline 29 Apr 2026, 14:42:43 UTC
Received 24 Apr 2026, 15:09:03 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648332
Run time 48 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 23,714.37 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 24.79 MB
Peak swap size 14.77 MB
Peak disk usage 1.54 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>
11:07:20 (76528): wrapper (7.9.26016): starting
11:07:20 (76528): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A29_0.pdb
QB_A34_A29_0.xml
QB_A34_A29.inpcrd
QB_A34_A29_input.yaml
QB_A34_A29.pdb
QB_A34_A29.prmtop
QB_A34_A29_sys.xml
run.bat
run.sh
11:07:21 (76528): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:07:21 (76528): 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\0\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\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\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\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 10, in <module>
    import openmm as mm
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\__init__.py", line 24, in <module>
    from openmm.openmm import *
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 10, in <module>
    from . import _openmm
ImportError: DLL load failed while importing _openmm: The specified module could not be found.
11:07:29 (76528): C:/Windows/system32/cmd.exe exited; CPU time 0.046875
11:07:29 (76528): app exit status: 0x16
11:07:29 (76528): 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: 406645 bytes.
Dumping objects ->
{3835219} normal block at 0x0000025F50964D90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000025F50964D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000025F50964C40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000025F509649A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000025F50965030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000025F5277B100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000025F5278ED50, 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) : {3835130} normal block at 0x0000025F5095D600, 8 bytes long.
 Data: <  &#146;P_   > 00 00 92 50 5F 02 00 00 
{3834528} normal block at 0x0000025F5278ECA0, 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 0x0000025F5095DB50, 8 bytes long.
 Data: <&#192;=}R_   > C0 3D 7D 52 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000025F50950AF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025F50951980, 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 0x0000025F50965E50, 16 bytes long.
 Data: <(h&#150;P_           > 28 68 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025F509659F0, 16 bytes long.
 Data: < h&#150;P_           > 00 68 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025F509610D0, 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 0x0000025F50965C20, 16 bytes long.
 Data: <&#216;g&#150;P_           > D8 67 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025F50965540, 16 bytes long.
 Data: <&#176;g&#150;P_           > B0 67 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025F509657C0, 16 bytes long.
 Data: < g&#150;P_           > 88 67 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025F50965F40, 16 bytes long.
 Data: <`g&#150;P_           > 60 67 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025F50964A80, 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 0x0000025F50966300, 16 bytes long.
 Data: <&#248; &#149;P_           > F8 05 95 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025F50960A10, 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 0x0000025F50965EA0, 16 bytes long.
 Data: <&#208; &#149;P_           > D0 05 95 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025F509655E0, 16 bytes long.
 Data: <&#168; &#149;P_           > A8 05 95 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025F50965EF0, 16 bytes long.
 Data: <  &#149;P_           > 80 05 95 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025F50966490, 16 bytes long.
 Data: <X &#149;P_           > 58 05 95 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025F50965720, 16 bytes long.
 Data: <0 &#149;P_           > 30 05 95 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025F50965C70, 16 bytes long.
 Data: <  &#149;P_           > 08 05 95 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025F50960950, 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 0x0000025F50965A90, 16 bytes long.
 Data: <&#224; &#149;P_           > E0 04 95 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025F509504E0, 320 bytes long.
 Data: < Z&#150;P_   P	&#150;P_   > 90 5A 96 50 5F 02 00 00 50 09 96 50 5F 02 00 00 
{269} normal block at 0x0000025F509660D0, 16 bytes long.
 Data: <@g&#150;P_           > 40 67 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025F50965FE0, 16 bytes long.
 Data: < g&#150;P_           > 18 67 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025F50961070, 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 0x0000025F509661C0, 16 bytes long.
 Data: <&#240;f&#150;P_           > F0 66 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025F50961010, 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 0x0000025F50965770, 16 bytes long.
 Data: <8f&#150;P_           > 38 66 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025F50965D10, 16 bytes long.
 Data: < f&#150;P_           > 10 66 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025F509656D0, 16 bytes long.
 Data: <&#232;e&#150;P_           > E8 65 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025F50966080, 16 bytes long.
 Data: <&#192;e&#150;P_           > C0 65 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025F50966440, 16 bytes long.
 Data: < e&#150;P_           > 98 65 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025F50966170, 16 bytes long.
 Data: <pe&#150;P_           > 70 65 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025F509663F0, 16 bytes long.
 Data: <&#224;N&#150;P_           > E0 4E 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025F50964EE0, 40 bytes long.
 Data: <&#240;c&#150;P_    &#177;wR_   > F0 63 96 50 5F 02 00 00 00 B1 77 52 5F 02 00 00 
{255} normal block at 0x0000025F50966030, 16 bytes long.
 Data: <Pe&#150;P_           > 50 65 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000025F50965680, 16 bytes long.
 Data: <(e&#150;P_           > 28 65 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000025F50960EF0, 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 0x0000025F50965810, 16 bytes long.
 Data: < e&#150;P_           > 00 65 96 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000025F50966500, 992 bytes long.
 Data: < X&#150;P_   &#240; &#150;P_   > 10 58 96 50 5F 02 00 00 F0 0E 96 50 5F 02 00 00 
{87} normal block at 0x0000025F50960D10, 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 0x0000025F5095D9C0, 16 bytes long.
 Data: < &#236;&#148;P_           > 90 EC 94 50 5F 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000025F5094EC90, 40 bytes long.
 Data: <&#192;&#217;&#149;P_     &#150;P_   > C0 D9 95 50 5F 02 00 00 10 0D 96 50 5F 02 00 00 
{64} normal block at 0x0000025F5095D240, 16 bytes long.
 Data: < &#234;&#231;&#132;&#247;           > 80 EA E7 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025F5095D790, 16 bytes long.
 Data: <@&#233;&#231;&#132;&#247;           > 40 E9 E7 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025F5095D7E0, 16 bytes long.
 Data: <&#248;W&#228;&#132;&#247;           > F8 57 E4 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025F5095D4C0, 16 bytes long.
 Data: <&#216;W&#228;&#132;&#247;           > D8 57 E4 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025F5095D0B0, 16 bytes long.
 Data: <P &#228;&#132;&#247;           > 50 04 E4 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025F5095DD80, 16 bytes long.
 Data: <0 &#228;&#132;&#247;           > 30 04 E4 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025F5095CFC0, 16 bytes long.
 Data: <&#224; &#228;&#132;&#247;           > E0 02 E4 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025F5095D8D0, 16 bytes long.
 Data: <  &#228;&#132;&#247;           > 10 04 E4 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000025F5095DD30, 16 bytes long.
 Data: <p &#228;&#132;&#247;           > 70 04 E4 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000025F5095DCE0, 16 bytes long.
 Data: < &#192;&#226;&#132;&#247;           > 18 C0 E2 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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