Task 38626574

Name MCL1_RE_A29_A01_r0_3-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-0-6-RND0345_0
Workunit 31576670
Created 24 Apr 2026, 9:19:38 UTC
Sent 24 Apr 2026, 9:26:55 UTC
Report deadline 29 Apr 2026, 9:26:55 UTC
Received 24 Apr 2026, 9:39:57 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 651931
Run time 2 min 4 sec
CPU time 4 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,305.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 48.82 MB
Peak swap size 36.46 MB
Peak disk usage 1.43 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł� (null) �͎��s����܂���B
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:38:11 (1756): wrapper (7.9.26016): starting
18:38:11 (1756): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A01_0.pdb
QB_A29_A01_0.xml
QB_A29_A01.inpcrd
QB_A29_A01_input.yaml
QB_A29_A01.pdb
QB_A29_A01.prmtop
QB_A29_A01_sys.xml
run.bat
run.sh
18:38:13 (1756): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:38:13 (1756): 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: &#131;A&#131;v&#131;&#138;&#131;P&#129;[&#131;V&#131;&#135;&#131;&#147;&#144;&#167;&#140;&#228;&#131;|&#131;&#138;&#131;V&#129;[&#130;&#201;&#130;&#230;&#130;&#193;&#130;&#196;&#130;&#177;&#130;&#204;&#131;t&#131;@&#131;C&#131;&#139;&#130;&#170;&#131;u&#131;&#141;&#131;b&#131;N&#130;&#179;&#130;&#234;&#130;&#220;&#130;&#181;&#130;&#189;&#129;B
18:38:31 (1756): C:/Windows/system32/cmd.exe exited; CPU time 4.375000
18:38:31 (1756): app exit status: 0x16
18:38:31 (1756): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 520969 bytes.
Dumping objects ->
{3835680} normal block at 0x000002102A815080, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835669} normal block at 0x000002102A814EC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835658} normal block at 0x0000021028805600, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835647} normal block at 0x00000210288054B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835636} normal block at 0x0000021028805210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835605} normal block at 0x000002102A7B7780, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835592} normal block at 0x00000210287FD670, 8 bytes long.
 Data: <  &#195;(    > 00 00 C3 28 10 02 00 00 
{3834065} normal block at 0x00000210287FDAD0, 8 bytes long.
 Data: <&#208;&#215;~(    > D0 D7 7E 28 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000210287F0D60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000210287F23D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000021028805AE0, 16 bytes long.
 Data: <Hk (            > 48 6B 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021028806210, 16 bytes long.
 Data: < k (            > 20 6B 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021028800ED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000021028805E00, 16 bytes long.
 Data: < j (            > F8 6A 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021028805EF0, 16 bytes long.
 Data: <&#208;j (            > D0 6A 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021028805A90, 16 bytes long.
 Data: <&#168;j (            > A8 6A 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000210288063A0, 16 bytes long.
 Data: < j (            > 80 6A 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021028805360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000210288064E0, 16 bytes long.
 Data: <h&#181;~(            > 68 B5 7E 28 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021028801170, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000021028805D10, 16 bytes long.
 Data: <@&#181;~(            > 40 B5 7E 28 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021028806670, 16 bytes long.
 Data: < &#181;~(            > 18 B5 7E 28 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021028805A40, 16 bytes long.
 Data: < &#180;~(            > F0 B4 7E 28 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021028806350, 16 bytes long.
 Data: <&#200;&#180;~(            > C8 B4 7E 28 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021028805C20, 16 bytes long.
 Data: < &#180;~(            > A0 B4 7E 28 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000210288058B0, 16 bytes long.
 Data: <x&#180;~(            > 78 B4 7E 28 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021028800E10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000021028806620, 16 bytes long.
 Data: <P&#180;~(            > 50 B4 7E 28 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000210287EB450, 320 bytes long.
 Data: < f (       (    > 20 66 80 28 10 02 00 00 10 0E 80 28 10 02 00 00 
{278} normal block at 0x0000021028805C70, 16 bytes long.
 Data: <`j (            > 60 6A 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021028806080, 16 bytes long.
 Data: <8j (            > 38 6A 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021028800C30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000021028806170, 16 bytes long.
 Data: < j (            > 10 6A 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021028801950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000021028806030, 16 bytes long.
 Data: <Xi (            > 58 69 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021028805FE0, 16 bytes long.
 Data: <0i (            > 30 69 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021028805EA0, 16 bytes long.
 Data: < i (            > 08 69 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000210288059F0, 16 bytes long.
 Data: < h (            > E0 68 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021028806490, 16 bytes long.
 Data: <&#184;h (            > B8 68 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021028805BD0, 16 bytes long.
 Data: < h (            > 90 68 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000210288060D0, 16 bytes long.
 Data: <&#208;S (            > D0 53 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000210288053D0, 40 bytes long.
 Data: <&#208;` (     w{*    > D0 60 80 28 10 02 00 00 80 77 7B 2A 10 02 00 00 
{264} normal block at 0x0000021028805E50, 16 bytes long.
 Data: <ph (            > 70 68 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021028805DB0, 16 bytes long.
 Data: <Hh (            > 48 68 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021028800DB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000210288059A0, 16 bytes long.
 Data: < h (            > 20 68 80 28 10 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021028806820, 992 bytes long.
 Data: < Y (    &#176;  (    > A0 59 80 28 10 02 00 00 B0 0D 80 28 10 02 00 00 
{96} normal block at 0x0000021028800BD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000210287FD850, 16 bytes long.
 Data: <  ~(            > 10 EF 7E 28 10 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000210287EEF10, 40 bytes long.
 Data: <P&#216; (    &#208;  (    > 50 D8 7F 28 10 02 00 00 D0 0B 80 28 10 02 00 00 
{71} normal block at 0x00000210287FD530, 16 bytes long.
 Data: <   &#191;            > 80 EA 01 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000210287FD8A0, 16 bytes long.
 Data: <@  &#191;            > 40 E9 01 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000210287FD9E0, 16 bytes long.
 Data: < W &#190;            > F8 57 FE BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000210287FD990, 16 bytes long.
 Data: <&#216;W &#190;            > D8 57 FE BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000210287FD760, 16 bytes long.
 Data: <P  &#190;            > 50 04 FE BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000210287FDA30, 16 bytes long.
 Data: <0  &#190;            > 30 04 FE BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000210287FD3A0, 16 bytes long.
 Data: <   &#190;            > E0 02 FE BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000210287FDDF0, 16 bytes long.
 Data: <   &#190;            > 10 04 FE BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000210287FE160, 16 bytes long.
 Data: <p  &#190;            > 70 04 FE BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000210287FE110, 16 bytes long.
 Data: < &#192; &#190;            > 18 C0 FC BE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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