Task 38630449

Name MCL1_RE_A10_A36_r0_1-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-2-6-RND3776_0
Workunit 31579724
Created 25 Apr 2026, 13:17:30 UTC
Sent 25 Apr 2026, 13:17:35 UTC
Report deadline 30 Apr 2026, 13:17:35 UTC
Received 25 Apr 2026, 15:27:51 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 646979
Run time 58 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 83,077.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 34.97 MB
Peak swap size 23.50 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>
00:26:24 (24252): wrapper (7.9.26016): starting
00:26:24 (24252): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A36_0.pdb
QB_A10_A36_0.xml
QB_A10_A36.inpcrd
QB_A10_A36_input.yaml
QB_A10_A36.pdb
QB_A10_A36.prmtop
QB_A10_A36_sys.xml
run.bat
run.sh
00:26:25 (24252): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:26:25 (24252): 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 11, in <module>
    from openmm.app import *
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\__init__.py", line 17, in <module>
    from .xtcfile import XTCFile
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\xtcfile.py", line 6, in <module>
    from openmm.app.internal.xtc_utils import (
ImportError: DLL load failed while importing xtc_utils: &#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
00:26:38 (24252): C:/Windows/system32/cmd.exe exited; CPU time 1.015625
00:26:38 (24252): app exit status: 0x16
00:26:38 (24252): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 423659 bytes.
Dumping objects ->
{3835581} normal block at 0x0000020CDD5D75E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835570} normal block at 0x0000020CDD5D71F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x0000020CDD5052C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835548} normal block at 0x0000020CDD505020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x0000020CDD5054F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835506} normal block at 0x0000020CDF5B9B40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835495} normal block at 0x0000020CDF5CD740, 100 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) : {3835492} normal block at 0x0000020CDD4FD5F0, 8 bytes long.
 Data: <   &#221;    > 00 00 90 DD 0C 02 00 00 
{3834767} normal block at 0x0000020CDF5CD6A0, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834057} normal block at 0x0000020CDD4FDCD0, 8 bytes long.
 Data: <@5a&#223;    > 40 35 61 DF 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020CDD4F10C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020CDD4F2540, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020CDD5064E0, 16 bytes long.
 Data: <&#200;mP&#221;            > C8 6D 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020CDD506260, 16 bytes long.
 Data: < mP&#221;            > A0 6D 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020CDD501520, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020CDD505EF0, 16 bytes long.
 Data: <xmP&#221;            > 78 6D 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020CDD505C70, 16 bytes long.
 Data: <PmP&#221;            > 50 6D 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020CDD506800, 16 bytes long.
 Data: <(mP&#221;            > 28 6D 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020CDD505D60, 16 bytes long.
 Data: < mP&#221;            > 00 6D 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020CDD505090, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020CDD506210, 16 bytes long.
 Data: <H	O&#221;            > 48 09 4F DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020CDD501400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000020CDD5061C0, 16 bytes long.
 Data: < 	O&#221;            > 20 09 4F DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020CDD506620, 16 bytes long.
 Data: <  O&#221;            > F8 08 4F DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020CDD505C20, 16 bytes long.
 Data: <&#208; O&#221;            > D0 08 4F DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020CDD506530, 16 bytes long.
 Data: <&#168; O&#221;            > A8 08 4F DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020CDD506850, 16 bytes long.
 Data: <  O&#221;            > 80 08 4F DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020CDD505CC0, 16 bytes long.
 Data: <X O&#221;            > 58 08 4F DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020CDD5014C0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{278} normal block at 0x0000020CDD5066C0, 16 bytes long.
 Data: <0 O&#221;            > 30 08 4F DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020CDD4F0830, 320 bytes long.
 Data: <&#192;fP&#221;    &#192; P&#221;    > C0 66 50 DD 0C 02 00 00 C0 14 50 DD 0C 02 00 00 
{276} normal block at 0x0000020CDD5068F0, 16 bytes long.
 Data: < lP&#221;            > E0 6C 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020CDD505F90, 16 bytes long.
 Data: <&#184;lP&#221;            > B8 6C 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020CDD5016A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020CDD506670, 16 bytes long.
 Data: < lP&#221;            > 90 6C 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020CDD5015E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020CDD506030, 16 bytes long.
 Data: <&#216;kP&#221;            > D8 6B 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020CDD506170, 16 bytes long.
 Data: <&#176;kP&#221;            > B0 6B 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020CDD505BD0, 16 bytes long.
 Data: < kP&#221;            > 88 6B 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020CDD5063F0, 16 bytes long.
 Data: <`kP&#221;            > 60 6B 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020CDD506490, 16 bytes long.
 Data: <8kP&#221;            > 38 6B 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020CDD505DB0, 16 bytes long.
 Data: < kP&#221;            > 10 6B 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020CDD5063A0, 16 bytes long.
 Data: <0SP&#221;            > 30 53 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020CDD505330, 40 bytes long.
 Data: < cP&#221;    @ [&#223;    > A0 63 50 DD 0C 02 00 00 40 9B 5B DF 0C 02 00 00 
{262} normal block at 0x0000020CDD506440, 16 bytes long.
 Data: < jP&#221;            > F0 6A 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020CDD506300, 16 bytes long.
 Data: <&#200;jP&#221;            > C8 6A 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020CDD501BE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020CDD505B30, 16 bytes long.
 Data: < jP&#221;            > A0 6A 50 DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020CDD506AA0, 992 bytes long.
 Data: <0[P&#221;      P&#221;    > 30 5B 50 DD 0C 02 00 00 E0 1B 50 DD 0C 02 00 00 
{94} normal block at 0x0000020CDD501040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000020CDD4FDC30, 16 bytes long.
 Data: <  N&#221;            > 10 E1 4E DD 0C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020CDD4EE110, 40 bytes long.
 Data: <0&#220;O&#221;    @ P&#221;    > 30 DC 4F DD 0C 02 00 00 40 10 50 DD 0C 02 00 00 
{69} normal block at 0x0000020CDD4FDAF0, 16 bytes long.
 Data: <  &#213;             > 80 EA D5 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020CDD4FE220, 16 bytes long.
 Data: <@ &#213;             > 40 E9 D5 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020CDD4FD3C0, 16 bytes long.
 Data: < W&#210;             > F8 57 D2 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020CDD4FDB40, 16 bytes long.
 Data: <&#216;W&#210;             > D8 57 D2 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020CDD4FD730, 16 bytes long.
 Data: <P &#210;             > 50 04 D2 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020CDD4FDF00, 16 bytes long.
 Data: <0 &#210;             > 30 04 D2 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020CDD4FD2D0, 16 bytes long.
 Data: <  &#210;             > E0 02 D2 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020CDD4FDEB0, 16 bytes long.
 Data: <  &#210;             > 10 04 D2 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020CDD4FDB90, 16 bytes long.
 Data: <p &#210;             > 70 04 D2 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020CDD4FD780, 16 bytes long.
 Data: < &#192;&#208;             > 18 C0 D0 18 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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