Task 38627746

Name MCL1_RE_A24_A33_r0_5-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-1-6-RND7180_2
Workunit 31577555
Created 24 Apr 2026, 13:08:08 UTC
Sent 24 Apr 2026, 13:09:18 UTC
Report deadline 29 Apr 2026, 13:09:18 UTC
Received 24 Apr 2026, 13:19:28 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 2 sec
CPU time
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 42.52 MB
Peak swap size 30.64 MB
Peak disk usage 1.46 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>
22:17:38 (13812): wrapper (7.9.26016): starting
22:17:38 (13812): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A33_0.pdb
QB_A24_A33_0.xml
QB_A24_A33.inpcrd
QB_A24_A33_input.yaml
QB_A24_A33.pdb
QB_A24_A33.prmtop
QB_A24_A33_sys.xml
run.bat
run.sh
22:17:40 (13812): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:17:40 (13812): 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: &#142;w&#146;&#232;&#130;&#179;&#130;&#234;&#130;&#189;&#131;&#130;&#131;W&#131;&#133;&#129;[&#131;&#139;&#130;&#170;&#140;&#169;&#130;&#194;&#130;&#169;&#130;&#232;&#130;&#220;&#130;&#185;&#130;&#241;&#129;B
22:18:04 (13812): C:/Windows/system32/cmd.exe exited; CPU time 0.734375
22:18:04 (13812): app exit status: 0x16
22:18:04 (13812): 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: 672697 bytes.
Dumping objects ->
{3835680} normal block at 0x000002C3EFE3C280, 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 0x000002C3EFE3C360, 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 0x000002C3EDE75760, 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 0x000002C3EDE756F0, 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 0x000002C3EDE755A0, 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 0x000002C3EFE87DC0, 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 0x000002C3EDE6D8C0, 8 bytes long.
 Data: <  &#161; &#195;   > 00 00 A1 EF C3 02 00 00 
{3834065} normal block at 0x000002C3EDE6E090, 8 bytes long.
 Data: <&#192;K  &#195;   > C0 4B EE EF C3 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002C3EDE61280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002C3EDE62120, 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 0x000002C3EDE76360, 16 bytes long.
 Data: <Xk  &#195;           > 58 6B E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002C3EDE76630, 16 bytes long.
 Data: <0k  &#195;           > 30 6B E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002C3EDE71550, 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 0x000002C3EDE75AA0, 16 bytes long.
 Data: < k  &#195;           > 08 6B E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C3EDE75E10, 16 bytes long.
 Data: < j  &#195;           > E0 6A E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C3EDE759B0, 16 bytes long.
 Data: <&#184;j  &#195;           > B8 6A E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C3EDE765E0, 16 bytes long.
 Data: < j  &#195;           > 90 6A E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C3EDE75220, 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 0x000002C3EDE766D0, 16 bytes long.
 Data: <h&#181;  &#195;           > 68 B5 E5 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C3EDE71370, 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 0x000002C3EDE764F0, 16 bytes long.
 Data: <@&#181;  &#195;           > 40 B5 E5 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C3EDE75FA0, 16 bytes long.
 Data: < &#181;  &#195;           > 18 B5 E5 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C3EDE75DC0, 16 bytes long.
 Data: < &#180;  &#195;           > F0 B4 E5 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C3EDE75A50, 16 bytes long.
 Data: <&#200;&#180;  &#195;           > C8 B4 E5 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C3EDE76130, 16 bytes long.
 Data: < &#180;  &#195;           > A0 B4 E5 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C3EDE76590, 16 bytes long.
 Data: <x&#180;  &#195;           > 78 B4 E5 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C3EDE71070, 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 0x000002C3EDE75D70, 16 bytes long.
 Data: <P&#180;  &#195;           > 50 B4 E5 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C3EDE5B450, 320 bytes long.
 Data: <p]  &#195;   p   &#195;   > 70 5D E7 ED C3 02 00 00 70 10 E7 ED C3 02 00 00 
{278} normal block at 0x000002C3EDE764A0, 16 bytes long.
 Data: <pj  &#195;           > 70 6A E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C3EDE76270, 16 bytes long.
 Data: <Hj  &#195;           > 48 6A E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C3EDE71010, 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 0x000002C3EDE75FF0, 16 bytes long.
 Data: < j  &#195;           > 20 6A E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C3EDE70FB0, 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 0x000002C3EDE75CD0, 16 bytes long.
 Data: <hi  &#195;           > 68 69 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C3EDE76540, 16 bytes long.
 Data: <@i  &#195;           > 40 69 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C3EDE75D20, 16 bytes long.
 Data: < i  &#195;           > 18 69 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C3EDE75960, 16 bytes long.
 Data: < h  &#195;           > F0 68 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C3EDE76090, 16 bytes long.
 Data: <&#200;h  &#195;           > C8 68 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C3EDE75B90, 16 bytes long.
 Data: < h  &#195;           > A0 68 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C3EDE76220, 16 bytes long.
 Data: < R  &#195;           > 90 52 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C3EDE75290, 40 bytes long.
 Data: < b  &#195;   &#192;}  &#195;   > 20 62 E7 ED C3 02 00 00 C0 7D E8 EF C3 02 00 00 
{264} normal block at 0x000002C3EDE760E0, 16 bytes long.
 Data: < h  &#195;           > 80 68 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C3EDE76040, 16 bytes long.
 Data: <Xh  &#195;           > 58 68 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C3EDE71310, 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 0x000002C3EDE75910, 16 bytes long.
 Data: <0h  &#195;           > 30 68 E7 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C3EDE76830, 992 bytes long.
 Data: < Y  &#195;       &#195;   > 10 59 E7 ED C3 02 00 00 10 13 E7 ED C3 02 00 00 
{96} normal block at 0x000002C3EDE70EF0, 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 0x000002C3EDE6D4B0, 16 bytes long.
 Data: <`   &#195;           > 60 E4 E5 ED C3 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002C3EDE5E460, 40 bytes long.
 Data: <&#176;&#212;  &#195;       &#195;   > B0 D4 E6 ED C3 02 00 00 F0 0E E7 ED C3 02 00 00 
{71} normal block at 0x000002C3EDE6DE10, 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 0x000002C3EDE6E040, 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 0x000002C3EDE6D5F0, 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 0x000002C3EDE6D9B0, 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 0x000002C3EDE6D460, 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 0x000002C3EDE6D7D0, 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 0x000002C3EDE6DB40, 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 0x000002C3EDE6D5A0, 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 0x000002C3EDE6D230, 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 0x000002C3EDE6D550, 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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