Task 38630308

Name PTP1B_A10_A19_r0_4-QUICO_ATM_OpenFF23_NAGL_PTP1B-3-6-RND4880_0
Workunit 31579611
Created 25 Apr 2026, 12:02:41 UTC
Sent 25 Apr 2026, 12:02:51 UTC
Report deadline 30 Apr 2026, 12:02:51 UTC
Received 25 Apr 2026, 15:25:47 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 646979
Run time 1 min
CPU time
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 46.97 MB
Peak swap size 32.91 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>
00:22:42 (24328): wrapper (7.9.26016): starting
00:22:42 (24328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A19_0.pdb
QB_A10_A19_0.xml
QB_A10_A19.inpcrd
QB_A10_A19_input.yaml
QB_A10_A19.pdb
QB_A10_A19.prmtop
QB_A10_A19_sys.xml
run.bat
run.sh
00:22:44 (24328): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:22:44 (24328): 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
00:22:59 (24328): C:/Windows/system32/cmd.exe exited; CPU time 0.312500
00:22:59 (24328): app exit status: 0x16
00:22:59 (24328): 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: 419019 bytes.
Dumping objects ->
{3835581} normal block at 0x00000105656AB420, 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 0x00000105656AB110, 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 0x0000010565684F70, 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 0x0000010565685600, 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 0x0000010565685590, 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 0x00000105677B9AC0, 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 0x00000105677CBB20, 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 0x000001056567DC60, 8 bytes long.
 Data: <  &#182;e    > 00 00 B6 65 05 01 00 00 
{3834767} normal block at 0x00000105677CC2A0, 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 0x000001056567DE40, 8 bytes long.
 Data: < 4 g    > 90 34 81 67 05 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000105656716B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000010565671E30, 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 0x0000010565686120, 16 bytes long.
 Data: <hnhe            > 68 6E 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000010565685E00, 16 bytes long.
 Data: <@nhe            > 40 6E 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000010565681B30, 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 0x0000010565685D10, 16 bytes long.
 Data: < nhe            > 18 6E 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000010565686620, 16 bytes long.
 Data: < mhe            > F0 6D 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000010565685F40, 16 bytes long.
 Data: <&#200;mhe            > C8 6D 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000105656868F0, 16 bytes long.
 Data: < mhe            > A0 6D 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000010565685440, 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 0x0000010565686670, 16 bytes long.
 Data: <  ge            > F8 08 67 65 05 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000010565681530, 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 0x00000105656865D0, 16 bytes long.
 Data: <&#208; ge            > D0 08 67 65 05 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000010565686850, 16 bytes long.
 Data: <&#168; ge            > A8 08 67 65 05 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000105656869E0, 16 bytes long.
 Data: <  ge            > 80 08 67 65 05 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000010565685D60, 16 bytes long.
 Data: <X ge            > 58 08 67 65 05 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000010565685C20, 16 bytes long.
 Data: <0 ge            > 30 08 67 65 05 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000105656867B0, 16 bytes long.
 Data: <  ge            > 08 08 67 65 05 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000010565681DD0, 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 0x0000010565685FE0, 16 bytes long.
 Data: <  ge            > E0 07 67 65 05 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000105656707E0, 320 bytes long.
 Data: < _he    &#208; he    > E0 5F 68 65 05 01 00 00 D0 1D 68 65 05 01 00 00 
{276} normal block at 0x00000105656864E0, 16 bytes long.
 Data: < mhe            > 80 6D 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000010565685B80, 16 bytes long.
 Data: <Xmhe            > 58 6D 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000105656819B0, 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 0x0000010565686A30, 16 bytes long.
 Data: <0mhe            > 30 6D 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000010565681D70, 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 0x0000010565686350, 16 bytes long.
 Data: <xlhe            > 78 6C 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000105656860D0, 16 bytes long.
 Data: <Plhe            > 50 6C 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000010565686760, 16 bytes long.
 Data: <(lhe            > 28 6C 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000010565685BD0, 16 bytes long.
 Data: < lhe            > 00 6C 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000010565686AD0, 16 bytes long.
 Data: <&#216;khe            > D8 6B 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000010565685EA0, 16 bytes long.
 Data: <&#176;khe            > B0 6B 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000010565686710, 16 bytes long.
 Data: < Rhe            > F0 52 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000105656852F0, 40 bytes long.
 Data: < ghe    &#192; {g    > 10 67 68 65 05 01 00 00 C0 9A 7B 67 05 01 00 00 
{262} normal block at 0x0000010565686080, 16 bytes long.
 Data: < khe            > 90 6B 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000105656868A0, 16 bytes long.
 Data: <hkhe            > 68 6B 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000105656811D0, 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 0x0000010565686030, 16 bytes long.
 Data: <@khe            > 40 6B 68 65 05 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000010565686B40, 992 bytes long.
 Data: <0`he    &#208; he    > 30 60 68 65 05 01 00 00 D0 11 68 65 05 01 00 00 
{94} normal block at 0x0000010565681A70, 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 0x000001056567DEE0, 16 bytes long.
 Data: <P&#194;fe            > 50 C2 66 65 05 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001056566C250, 40 bytes long.
 Data: < &#222;ge    p he    > E0 DE 67 65 05 01 00 00 70 1A 68 65 05 01 00 00 
{69} normal block at 0x000001056567DE90, 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 0x000001056567D3F0, 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 0x000001056567DBC0, 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 0x000001056567D530, 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 0x000001056567DF80, 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 0x000001056567DB70, 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 0x000001056567DF30, 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 0x000001056567D710, 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 0x000001056567DB20, 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 0x000001056567D620, 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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