Task 38636054

Name MCL1_RE_A39_A03_r0_1-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-5-6-RND4716_0
Workunit 31584372
Created 28 Apr 2026, 22:36:49 UTC
Sent 28 Apr 2026, 22:36:56 UTC
Report deadline 3 May 2026, 22:36:56 UTC
Received 28 Apr 2026, 22:41:42 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 2 sec
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 23.98 MB
Peak swap size 12.71 MB
Peak disk usage 1.55 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>
07:37:58 (14600): wrapper (7.9.26016): starting
07:37:58 (14600): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A03_0.pdb
QB_A39_A03_0.xml
QB_A39_A03.inpcrd
QB_A39_A03_input.yaml
QB_A39_A03.pdb
QB_A39_A03.prmtop
QB_A39_A03_sys.xml
run.bat
run.sh
07:37:59 (14600): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:37:59 (14600): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\1\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\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 10, in <module>
    import openmm as mm
  File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\__init__.py", line 24, in <module>
    from openmm.openmm import *
  File "C:\ProgramData\BOINC\slots\1\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
07:38:13 (14600): C:/Windows/system32/cmd.exe exited; CPU time 0.296875
07:38:13 (14600): app exit status: 0x16
07:38:13 (14600): 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: 427643 bytes.
Dumping objects ->
{3835540} normal block at 0x000001B98EC36700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x000001B98EC36620, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x000001B98EC365B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835507} normal block at 0x000001B98EC36540, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835496} normal block at 0x000001B98EC364D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835465} normal block at 0x000001B990C9AF30, 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) : {3835452} normal block at 0x000001B98EC2E550, 8 bytes long.
 Data: <  _ &#185;   > 00 00 5F 90 B9 01 00 00 
{3834049} normal block at 0x000001B98EC2EE60, 8 bytes long.
 Data: <@ &#186; &#185;   > 40 E5 BA 90 B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B98EC22050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B98EC23130, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001B98EC375A0, 16 bytes long.
 Data: <h{&#195; &#185;           > 68 7B C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B98EC37550, 16 bytes long.
 Data: <@{&#195; &#185;           > 40 7B C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B98EC31D90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001B98EC36880, 16 bytes long.
 Data: < {&#195; &#185;           > 18 7B C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B98EC36BF0, 16 bytes long.
 Data: < z&#195; &#185;           > F0 7A C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B98EC37500, 16 bytes long.
 Data: <&#200;z&#195; &#185;           > C8 7A C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B98EC37320, 16 bytes long.
 Data: < z&#195; &#185;           > A0 7A C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B98EC36070, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001B98EC372D0, 16 bytes long.
 Data: <X &#194; &#185;           > 58 16 C2 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B98EC323F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001B98EC36A60, 16 bytes long.
 Data: <0 &#194; &#185;           > 30 16 C2 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B98EC37280, 16 bytes long.
 Data: <  &#194; &#185;           > 08 16 C2 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B98EC36B00, 16 bytes long.
 Data: <  &#194; &#185;           > E0 15 C2 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B98EC374B0, 16 bytes long.
 Data: <&#184; &#194; &#185;           > B8 15 C2 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B98EC37460, 16 bytes long.
 Data: <  &#194; &#185;           > 90 15 C2 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B98EC37410, 16 bytes long.
 Data: <h &#194; &#185;           > 68 15 C2 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B98EC31DF0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{276} normal block at 0x000001B98EC37000, 16 bytes long.
 Data: <@ &#194; &#185;           > 40 15 C2 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B98EC21540, 320 bytes long.
 Data: < p&#195; &#185;     &#195; &#185;   > 00 70 C3 8E B9 01 00 00 F0 1D C3 8E B9 01 00 00 
{274} normal block at 0x000001B98EC36BA0, 16 bytes long.
 Data: < z&#195; &#185;           > 80 7A C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B98EC36A10, 16 bytes long.
 Data: <Xz&#195; &#185;           > 58 7A C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B98EC32B10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001B98EC373C0, 16 bytes long.
 Data: <0z&#195; &#185;           > 30 7A C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B98EC32090, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001B98EC37780, 16 bytes long.
 Data: <xy&#195; &#185;           > 78 79 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B98EC37690, 16 bytes long.
 Data: <Py&#195; &#185;           > 50 79 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B98EC37370, 16 bytes long.
 Data: <(y&#195; &#185;           > 28 79 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B98EC36DD0, 16 bytes long.
 Data: < y&#195; &#185;           > 00 79 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B98EC37230, 16 bytes long.
 Data: <&#216;x&#195; &#185;           > D8 78 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B98EC37140, 16 bytes long.
 Data: <&#176;x&#195; &#185;           > B0 78 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B98EC37730, 16 bytes long.
 Data: <pg&#195; &#185;           > 70 67 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B98EC36770, 40 bytes long.
 Data: <0w&#195; &#185;   0&#175;&#201; &#185;   > 30 77 C3 8E B9 01 00 00 30 AF C9 90 B9 01 00 00 
{260} normal block at 0x000001B98EC36B50, 16 bytes long.
 Data: < x&#195; &#185;           > 90 78 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B98EC370F0, 16 bytes long.
 Data: <hx&#195; &#185;           > 68 78 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B98EC32810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001B98EC377D0, 16 bytes long.
 Data: <@x&#195; &#185;           > 40 78 C3 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B98EC37840, 992 bytes long.
 Data: <&#208;w&#195; &#185;    (&#195; &#185;   > D0 77 C3 8E B9 01 00 00 10 28 C3 8E B9 01 00 00 
{92} normal block at 0x000001B98EC32450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001B98EC2E500, 16 bytes long.
 Data: <p &#193; &#185;           > 70 E0 C1 8E B9 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001B98EC1E070, 40 bytes long.
 Data: <  &#194; &#185;   P$&#195; &#185;   > 00 E5 C2 8E B9 01 00 00 50 24 C3 8E B9 01 00 00 
{67} normal block at 0x000001B98EC2E460, 16 bytes long.
 Data: <  N&#196;            > 80 EA 4E C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B98EC2E370, 16 bytes long.
 Data: <@ N&#196;            > 40 E9 4E C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B98EC2EA00, 16 bytes long.
 Data: < WK&#196;            > F8 57 4B C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B98EC2E190, 16 bytes long.
 Data: <&#216;WK&#196;            > D8 57 4B C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B98EC2EDC0, 16 bytes long.
 Data: <P K&#196;            > 50 04 4B C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B98EC2E0A0, 16 bytes long.
 Data: <0 K&#196;            > 30 04 4B C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B98EC2ED70, 16 bytes long.
 Data: <  K&#196;            > E0 02 4B C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B98EC2E0F0, 16 bytes long.
 Data: <  K&#196;            > 10 04 4B C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B98EC2E2D0, 16 bytes long.
 Data: <p K&#196;            > 70 04 4B C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B98EC2E6E0, 16 bytes long.
 Data: < &#192;I&#196;            > 18 C0 49 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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