Task 38627664

Name MCL1_RE_A24_A20_r0_1-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-1-6-RND6533_2
Workunit 31577468
Created 24 Apr 2026, 12:46:45 UTC
Sent 24 Apr 2026, 12:46:58 UTC
Report deadline 29 Apr 2026, 12:46:58 UTC
Received 24 Apr 2026, 12:58:03 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
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 46.53 MB
Peak swap size 33.13 MB
Peak disk usage 1.54 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>
21:55:54 (23448): wrapper (7.9.26016): starting
21:55:54 (23448): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A20_0.pdb
QB_A24_A20_0.xml
QB_A24_A20.inpcrd
QB_A24_A20_input.yaml
QB_A24_A20.pdb
QB_A24_A20.prmtop
QB_A24_A20_sys.xml
run.bat
run.sh
21:55:55 (23448): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:55:55 (23448): 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
21:56:20 (23448): C:/Windows/system32/cmd.exe exited; CPU time 4.468750
21:56:20 (23448): app exit status: 0x16
21:56:20 (23448): 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: 833615 bytes.
Dumping objects ->
{3835680} normal block at 0x000002A6C17CC200, 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 0x000002A6C17CC900, 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 0x000002A6BF8C0640, 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 0x000002A6BF8C0720, 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 0x000002A6BF8C05D0, 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 0x000002A6C1819EE0, 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 0x000002A6BF8BE010, 8 bytes long.
 Data: <   &#193;&#166;   > 00 00 1F C1 A6 02 00 00 
{3834065} normal block at 0x000002A6BF8BD3E0, 8 bytes long.
 Data: <&#176;E &#193;&#166;   > B0 45 87 C1 A6 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002A6BF8B1200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002A6BF8B1CB0, 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 0x000002A6BF8C5A20, 16 bytes long.
 Data: <&#184;g &#191;&#166;           > B8 67 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A6BF8C5DE0, 16 bytes long.
 Data: < g &#191;&#166;           > 90 67 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A6BF8C11D0, 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 0x000002A6BF8C5520, 16 bytes long.
 Data: <hg &#191;&#166;           > 68 67 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A6BF8C6010, 16 bytes long.
 Data: <@g &#191;&#166;           > 40 67 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A6BF8C59D0, 16 bytes long.
 Data: < g &#191;&#166;           > 18 67 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A6BF8C5980, 16 bytes long.
 Data: < f &#191;&#166;           > F0 66 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A6BF8C0800, 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 0x000002A6BF8C5D40, 16 bytes long.
 Data: <   &#191;&#166;           > 08 08 8B BF A6 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A6BF8C0ED0, 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 0x000002A6BF8C5AC0, 16 bytes long.
 Data: <   &#191;&#166;           > E0 07 8B BF A6 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A6BF8C5B60, 16 bytes long.
 Data: <&#184;  &#191;&#166;           > B8 07 8B BF A6 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A6BF8C5CF0, 16 bytes long.
 Data: <   &#191;&#166;           > 90 07 8B BF A6 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A6BF8C5CA0, 16 bytes long.
 Data: <h  &#191;&#166;           > 68 07 8B BF A6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A6BF8C5700, 16 bytes long.
 Data: <@  &#191;&#166;           > 40 07 8B BF A6 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A6BF8C6150, 16 bytes long.
 Data: <   &#191;&#166;           > 18 07 8B BF A6 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A6BF8C0B70, 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 0x000002A6BF8C5610, 16 bytes long.
 Data: <   &#191;&#166;           > F0 06 8B BF A6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A6BF8B06F0, 320 bytes long.
 Data: < V &#191;&#166;   p  &#191;&#166;   > 10 56 8C BF A6 02 00 00 70 0B 8C BF A6 02 00 00 
{278} normal block at 0x000002A6BF8C57F0, 16 bytes long.
 Data: <&#208;f &#191;&#166;           > D0 66 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A6BF8C55C0, 16 bytes long.
 Data: <&#168;f &#191;&#166;           > A8 66 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A6BF8C1110, 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 0x000002A6BF8C5C50, 16 bytes long.
 Data: < f &#191;&#166;           > 80 66 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A6BF8C10B0, 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 0x000002A6BF8C5F20, 16 bytes long.
 Data: <&#200;e &#191;&#166;           > C8 65 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A6BF8C56B0, 16 bytes long.
 Data: < e &#191;&#166;           > A0 65 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A6BF8C6060, 16 bytes long.
 Data: <xe &#191;&#166;           > 78 65 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A6BF8C6290, 16 bytes long.
 Data: <Pe &#191;&#166;           > 50 65 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A6BF8C5F70, 16 bytes long.
 Data: <(e &#191;&#166;           > 28 65 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A6BF8C5930, 16 bytes long.
 Data: < e &#191;&#166;           > 00 65 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A6BF8C5890, 16 bytes long.
 Data: <   &#191;&#166;           > 90 07 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A6BF8C0790, 40 bytes long.
 Data: < X &#191;&#166;      &#193;&#166;   > 90 58 8C BF A6 02 00 00 E0 9E 81 C1 A6 02 00 00 
{264} normal block at 0x000002A6BF8C5840, 16 bytes long.
 Data: < d &#191;&#166;           > E0 64 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A6BF8C6240, 16 bytes long.
 Data: <&#184;d &#191;&#166;           > B8 64 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A6BF8C17D0, 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 0x000002A6BF8C54D0, 16 bytes long.
 Data: < d &#191;&#166;           > 90 64 8C BF A6 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A6BF8C6490, 992 bytes long.
 Data: <&#208;T &#191;&#166;   &#208;  &#191;&#166;   > D0 54 8C BF A6 02 00 00 D0 17 8C BF A6 02 00 00 
{96} normal block at 0x000002A6BF8C0D50, 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 0x000002A6BF8BD250, 16 bytes long.
 Data: <   &#191;&#166;           > F0 03 8B BF A6 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002A6BF8B03F0, 40 bytes long.
 Data: <P&#210; &#191;&#166;   P  &#191;&#166;   > 50 D2 8B BF A6 02 00 00 50 0D 8C BF A6 02 00 00 
{71} normal block at 0x000002A6BF8BD570, 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 0x000002A6BF8BD4D0, 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 0x000002A6BF8BDCF0, 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 0x000002A6BF8BD610, 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 0x000002A6BF8BDED0, 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 0x000002A6BF8BDA70, 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 0x000002A6BF8BDFC0, 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 0x000002A6BF8BDF70, 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 0x000002A6BF8BD7A0, 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 0x000002A6BF8BDCA0, 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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