Task 38610227

Name tnks2_A15_A17_r0_3-QUICO_ATM_GAFF2_NAGL_TNKS2-2-6-RND9585_0
Workunit 31563165
Created 15 Apr 2026, 7:50:57 UTC
Sent 15 Apr 2026, 7:51:05 UTC
Report deadline 20 Apr 2026, 7:51:05 UTC
Received 15 Apr 2026, 7:54:16 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 646385
Run time 1 min 17 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 7,472.71 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 27.93 MB
Peak swap size 21.28 MB
Peak disk usage 1.55 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
03:52:19 (2292): wrapper (7.9.26016): starting
03:52:19 (2292): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A17_0.pdb
QB_A15_A17_0.xml
QB_A15_A17.inpcrd
QB_A15_A17_input.yaml
QB_A15_A17.pdb
QB_A15_A17.prmtop
QB_A15_A17_sys.xml
run.bat
run.sh
03:52:20 (2292): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:52:20 (2292): 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: The specified module could not be found.
03:52:31 (2292): C:/Windows/system32/cmd.exe exited; CPU time 0.375000
03:52:31 (2292): app exit status: 0x16
03:52:31 (2292): 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: 528265 bytes.
Dumping objects ->
{3835196} normal block at 0x000001A3370EB6F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001A3370EC480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x000001A3370EC410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835163} normal block at 0x000001A3353737C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835152} normal block at 0x000001A335373E50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835121} normal block at 0x000001A337139D20, 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) : {3835108} normal block at 0x000001A33536DA60, 8 bytes long.
 Data: <  35&#163;   > 00 00 33 35 A3 01 00 00 
{3833957} normal block at 0x000001A33536D470, 8 bytes long.
 Data: <P&#214;55&#163;   > 50 D6 35 35 A3 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001A3353618D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A33535EC80, 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 0x000001A335373FD0, 16 bytes long.
 Data: <&#184;R75&#163;           > B8 52 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A3353745C0, 16 bytes long.
 Data: < R75&#163;           > 90 52 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A3353706D0, 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 0x000001A335374B60, 16 bytes long.
 Data: <hR75&#163;           > 68 52 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A335374480, 16 bytes long.
 Data: <@R75&#163;           > 40 52 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A3353747A0, 16 bytes long.
 Data: < R75&#163;           > 18 52 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A335374BB0, 16 bytes long.
 Data: <&#240;Q75&#163;           > F0 51 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A335373D00, 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 0x000001A335374CF0, 16 bytes long.
 Data: <&#168; 65&#163;           > A8 00 36 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A335370F10, 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 0x000001A3353748E0, 16 bytes long.
 Data: <  65&#163;           > 80 00 36 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A335374C50, 16 bytes long.
 Data: <X 65&#163;           > 58 00 36 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A335374520, 16 bytes long.
 Data: <0 65&#163;           > 30 00 36 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A335374020, 16 bytes long.
 Data: <  65&#163;           > 08 00 36 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A335374D40, 16 bytes long.
 Data: <&#224;&#255;55&#163;           > E0 FF 35 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A335374ED0, 16 bytes long.
 Data: <&#184;&#255;55&#163;           > B8 FF 35 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A335370C70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001A3353742A0, 16 bytes long.
 Data: < &#255;55&#163;           > 90 FF 35 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A33535FF90, 320 bytes long.
 Data: <&#160;B75&#163;   p 75&#163;   > A0 42 37 35 A3 01 00 00 70 0C 37 35 A3 01 00 00 
{274} normal block at 0x000001A335374CA0, 16 bytes long.
 Data: <&#208;Q75&#163;           > D0 51 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A335374750, 16 bytes long.
 Data: <&#168;Q75&#163;           > A8 51 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A3353703D0, 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 0x000001A335374890, 16 bytes long.
 Data: < Q75&#163;           > 80 51 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A335370B50, 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 0x000001A335374B10, 16 bytes long.
 Data: <&#200;P75&#163;           > C8 50 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A335374AC0, 16 bytes long.
 Data: <&#160;P75&#163;           > A0 50 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A335374F20, 16 bytes long.
 Data: <xP75&#163;           > 78 50 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A335374700, 16 bytes long.
 Data: <PP75&#163;           > 50 50 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A335374A20, 16 bytes long.
 Data: <(P75&#163;           > 28 50 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A3353746B0, 16 bytes long.
 Data: < P75&#163;           > 00 50 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A335374570, 16 bytes long.
 Data: <&#160;875&#163;           > A0 38 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A3353738A0, 40 bytes long.
 Data: <pE75&#163;      7&#163;   > 70 45 37 35 A3 01 00 00 20 9D 13 37 A3 01 00 00 
{260} normal block at 0x000001A3353749D0, 16 bytes long.
 Data: <&#224;O75&#163;           > E0 4F 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A3353744D0, 16 bytes long.
 Data: <&#184;O75&#163;           > B8 4F 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A335370730, 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 0x000001A335374340, 16 bytes long.
 Data: < O75&#163;           > 90 4F 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A335374F90, 992 bytes long.
 Data: <@C75&#163;   0 75&#163;   > 40 43 37 35 A3 01 00 00 30 07 37 35 A3 01 00 00 
{92} normal block at 0x000001A335370850, 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 0x000001A33536D6F0, 16 bytes long.
 Data: <0875&#163;           > 30 38 37 35 A3 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001A335373830, 40 bytes long.
 Data: <&#240;&#214;65&#163;   P 75&#163;   > F0 D6 36 35 A3 01 00 00 50 08 37 35 A3 01 00 00 
{69} normal block at 0x000001A33536D830, 16 bytes long.
 Data: < &#234; &#166;&#247;           > 80 EA 98 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A33536CED0, 16 bytes long.
 Data: <@&#233; &#166;&#247;           > 40 E9 98 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A33536CBB0, 16 bytes long.
 Data: <&#248;W&#149;&#166;&#247;           > F8 57 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A33536D3D0, 16 bytes long.
 Data: <&#216;W&#149;&#166;&#247;           > D8 57 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A33536D510, 16 bytes long.
 Data: <P &#149;&#166;&#247;           > 50 04 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A33536D0B0, 16 bytes long.
 Data: <0 &#149;&#166;&#247;           > 30 04 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A33536CD90, 16 bytes long.
 Data: <&#224; &#149;&#166;&#247;           > E0 02 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A33536D6A0, 16 bytes long.
 Data: <  &#149;&#166;&#247;           > 10 04 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A33536CFC0, 16 bytes long.
 Data: <p &#149;&#166;&#247;           > 70 04 95 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A33536D420, 16 bytes long.
 Data: < &#192;&#147;&#166;&#247;           > 18 C0 93 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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