Task 38629573

Name cdk8_A31_A28_r0_4-QUICO_ATM_OpenFF23_NAGL_cdk8-2-6-RND3490_1
Workunit 31578253
Created 25 Apr 2026, 5:33:52 UTC
Sent 25 Apr 2026, 5:34:04 UTC
Report deadline 30 Apr 2026, 5:34:04 UTC
Received 25 Apr 2026, 5:40:54 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 650130
Run time 1 min 28 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 5,034.48 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 24.61 MB
Peak swap size 12.36 MB
Peak disk usage 1.51 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
07:39:22 (24256): wrapper (7.9.26016): starting
07:39:22 (24256): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A28_0.pdb
QB_A31_A28_0.xml
QB_A31_A28.inpcrd
QB_A31_A28_input.yaml
QB_A31_A28.pdb
QB_A31_A28.prmtop
QB_A31_A28_sys.xml
run.bat
run.sh
07:39:24 (24256): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:39:24 (24256): 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: The specified module could not be found.
07:39:44 (24256): C:/Windows/system32/cmd.exe exited; CPU time 0.562500
07:39:44 (24256): app exit status: 0x16
07:39:44 (24256): 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: 782113 bytes.
Dumping objects ->
{3835256} normal block at 0x00000257F786CCF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000257F786C7B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x00000257F786C6D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x00000257F5B25110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000257F5B25030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x00000257F78B75C0, 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) : {3835168} normal block at 0x00000257F5B1D3B0, 8 bytes long.
 Data: <  &#251;&#245;W   > 00 00 FB F5 57 02 00 00 
{3833961} normal block at 0x00000257F5B1DCC0, 8 bytes long.
 Data: <p2&#145;&#247;W   > 70 32 91 F7 57 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000257F5B10990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000257F5B11A30, 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 0x00000257F5B26240, 16 bytes long.
 Data: <(k&#178;&#245;W           > 28 6B B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000257F5B26420, 16 bytes long.
 Data: < k&#178;&#245;W           > 00 6B B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000257F5B20D40, 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 0x00000257F5B263D0, 16 bytes long.
 Data: <&#216;j&#178;&#245;W           > D8 6A B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000257F5B26060, 16 bytes long.
 Data: <&#176;j&#178;&#245;W           > B0 6A B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000257F5B25AC0, 16 bytes long.
 Data: < j&#178;&#245;W           > 88 6A B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000257F5B26380, 16 bytes long.
 Data: <`j&#178;&#245;W           > 60 6A B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000257F5B251F0, 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 0x00000257F5B26600, 16 bytes long.
 Data: <X &#177;&#245;W           > 58 08 B1 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000257F5B21220, 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 0x00000257F5B262E0, 16 bytes long.
 Data: <0 &#177;&#245;W           > 30 08 B1 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000257F5B26560, 16 bytes long.
 Data: <  &#177;&#245;W           > 08 08 B1 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000257F5B26100, 16 bytes long.
 Data: <&#224; &#177;&#245;W           > E0 07 B1 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000257F5B26010, 16 bytes long.
 Data: <&#184; &#177;&#245;W           > B8 07 B1 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000257F5B25890, 16 bytes long.
 Data: <  &#177;&#245;W           > 90 07 B1 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000257F5B25FC0, 16 bytes long.
 Data: <h &#177;&#245;W           > 68 07 B1 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000257F5B21520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000257F5B25A70, 16 bytes long.
 Data: <@ &#177;&#245;W           > 40 07 B1 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000257F5B10740, 320 bytes long.
 Data: <pZ&#178;&#245;W     &#178;&#245;W   > 70 5A B2 F5 57 02 00 00 20 15 B2 F5 57 02 00 00 
{276} normal block at 0x00000257F5B26650, 16 bytes long.
 Data: <@j&#178;&#245;W           > 40 6A B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000257F5B26790, 16 bytes long.
 Data: < j&#178;&#245;W           > 18 6A B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000257F5B20E60, 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 0x00000257F5B26290, 16 bytes long.
 Data: <&#240;i&#178;&#245;W           > F0 69 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000257F5B21640, 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 0x00000257F5B25F20, 16 bytes long.
 Data: <8i&#178;&#245;W           > 38 69 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000257F5B26740, 16 bytes long.
 Data: < i&#178;&#245;W           > 10 69 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000257F5B26330, 16 bytes long.
 Data: <&#232;h&#178;&#245;W           > E8 68 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000257F5B25840, 16 bytes long.
 Data: <&#192;h&#178;&#245;W           > C0 68 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000257F5B25A20, 16 bytes long.
 Data: < h&#178;&#245;W           > 98 68 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000257F5B25B10, 16 bytes long.
 Data: <ph&#178;&#245;W           > 70 68 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000257F5B25CA0, 16 bytes long.
 Data: < T&#178;&#245;W           > 90 54 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000257F5B25490, 40 bytes long.
 Data: <&#160;\&#178;&#245;W   &#192;u&#139;&#247;W   > A0 5C B2 F5 57 02 00 00 C0 75 8B F7 57 02 00 00 
{262} normal block at 0x00000257F5B261A0, 16 bytes long.
 Data: <Ph&#178;&#245;W           > 50 68 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000257F5B259D0, 16 bytes long.
 Data: <(h&#178;&#245;W           > 28 68 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000257F5B20E00, 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 0x00000257F5B25C50, 16 bytes long.
 Data: < h&#178;&#245;W           > 00 68 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000257F5B26800, 992 bytes long.
 Data: <P\&#178;&#245;W     &#178;&#245;W   > 50 5C B2 F5 57 02 00 00 00 0E B2 F5 57 02 00 00 
{94} normal block at 0x00000257F5B210A0, 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 0x00000257F5B1DDB0, 16 bytes long.
 Data: <&#160;P&#178;&#245;W           > A0 50 B2 F5 57 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000257F5B250A0, 40 bytes long.
 Data: <&#176;&#221;&#177;&#245;W   &#160; &#178;&#245;W   > B0 DD B1 F5 57 02 00 00 A0 10 B2 F5 57 02 00 00 
{71} normal block at 0x00000257F5B1DC70, 16 bytes long.
 Data: < &#234;&#252;K&#247;           > 80 EA FC 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000257F5B1D180, 16 bytes long.
 Data: <@&#233;&#252;K&#247;           > 40 E9 FC 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000257F5B1D360, 16 bytes long.
 Data: <&#248;W&#249;K&#247;           > F8 57 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000257F5B1D450, 16 bytes long.
 Data: <&#216;W&#249;K&#247;           > D8 57 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000257F5B1D9A0, 16 bytes long.
 Data: <P &#249;K&#247;           > 50 04 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000257F5B1D540, 16 bytes long.
 Data: <0 &#249;K&#247;           > 30 04 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000257F5B1DA90, 16 bytes long.
 Data: <&#224; &#249;K&#247;           > E0 02 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000257F5B1DAE0, 16 bytes long.
 Data: <  &#249;K&#247;           > 10 04 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000257F5B1D270, 16 bytes long.
 Data: <p &#249;K&#247;           > 70 04 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000257F5B1D310, 16 bytes long.
 Data: < &#192;&#247;K&#247;           > 18 C0 F7 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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