Task 38623254

Name p38_2_A05_A33_r0_1-QUICO_ATM_GAFF2_NAGL_p38_2-2-6-RND0833_0
Workunit 31573895
Created 21 Apr 2026, 8:50:52 UTC
Sent 21 Apr 2026, 8:50:57 UTC
Report deadline 26 Apr 2026, 8:50:57 UTC
Received 21 Apr 2026, 8:54:23 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648521
Run time 1 min 15 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,693.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 46.22 MB
Peak swap size 32.60 MB
Peak disk usage 1.57 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>
04:52:01 (24752): wrapper (7.9.26016): starting
04:52:01 (24752): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A33_0.pdb
QB_A05_A33_0.xml
QB_A05_A33.inpcrd
QB_A05_A33_input.yaml
QB_A05_A33.pdb
QB_A05_A33.prmtop
QB_A05_A33_sys.xml
run.bat
run.sh
04:52:03 (24752): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:52:03 (24752): 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.
04:52:21 (24752): C:/Windows/system32/cmd.exe exited; CPU time 0.281250
04:52:21 (24752): app exit status: 0x16
04:52:21 (24752): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 348783 bytes.
Dumping objects ->
{3835282} normal block at 0x000001951D418380, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001951D4181C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001951D418000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x000001951B684BF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001951B684B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x000001951D424FF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001951B6EA410, 140 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) : {3835193} normal block at 0x000001951B67D6B0, 8 bytes long.
 Data: <  &#181; &#149;   > 00 00 B5 1B 95 01 00 00 
{3834569} normal block at 0x000001951B6E9BF0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001951B67DE30, 8 bytes long.
 Data: <&#192;6H &#149;   > C0 36 48 1D 95 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001951B671220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001951B672130, 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 0x000001951B685630, 16 bytes long.
 Data: <&#168;eh &#149;           > A8 65 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001951B6853B0, 16 bytes long.
 Data: < eh &#149;           > 80 65 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001951B681210, 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 0x000001951B6854F0, 16 bytes long.
 Data: <Xeh &#149;           > 58 65 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001951B685360, 16 bytes long.
 Data: <0eh &#149;           > 30 65 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001951B685720, 16 bytes long.
 Data: < eh &#149;           > 08 65 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001951B685F40, 16 bytes long.
 Data: <&#224;dh &#149;           > E0 64 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001951B6846B0, 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 0x000001951B6859F0, 16 bytes long.
 Data: < &#242;f &#149;           > 08 F2 66 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001951B680A90, 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 0x000001951B685310, 16 bytes long.
 Data: <&#224;&#241;f &#149;           > E0 F1 66 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001951B685B30, 16 bytes long.
 Data: <&#184;&#241;f &#149;           > B8 F1 66 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001951B6854A0, 16 bytes long.
 Data: < &#241;f &#149;           > 90 F1 66 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001951B6855E0, 16 bytes long.
 Data: <h&#241;f &#149;           > 68 F1 66 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001951B685DB0, 16 bytes long.
 Data: <@&#241;f &#149;           > 40 F1 66 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001951B686210, 16 bytes long.
 Data: < &#241;f &#149;           > 18 F1 66 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001951B6815D0, 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 0x000001951B6861C0, 16 bytes long.
 Data: <&#240;&#240;f &#149;           > F0 F0 66 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001951B66F0F0, 320 bytes long.
 Data: <&#192;ah &#149;   &#208; h &#149;   > C0 61 68 1B 95 01 00 00 D0 15 68 1B 95 01 00 00 
{274} normal block at 0x000001951B6856D0, 16 bytes long.
 Data: <&#192;dh &#149;           > C0 64 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001951B685810, 16 bytes long.
 Data: < dh &#149;           > 98 64 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001951B680C10, 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 0x000001951B685950, 16 bytes long.
 Data: <pdh &#149;           > 70 64 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001951B680E50, 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 0x000001951B685C70, 16 bytes long.
 Data: <&#184;ch &#149;           > B8 63 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001951B6859A0, 16 bytes long.
 Data: < ch &#149;           > 90 63 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001951B6860D0, 16 bytes long.
 Data: <hch &#149;           > 68 63 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001951B686170, 16 bytes long.
 Data: <@ch &#149;           > 40 63 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001951B6857C0, 16 bytes long.
 Data: < ch &#149;           > 18 63 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001951B685450, 16 bytes long.
 Data: <&#240;bh &#149;           > F0 62 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001951B686080, 16 bytes long.
 Data: <`Lh &#149;           > 60 4C 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001951B684C60, 40 bytes long.
 Data: < `h &#149;   &#240;OB &#149;   > 80 60 68 1B 95 01 00 00 F0 4F 42 1D 95 01 00 00 
{260} normal block at 0x000001951B685F90, 16 bytes long.
 Data: <&#208;bh &#149;           > D0 62 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001951B685590, 16 bytes long.
 Data: <&#168;bh &#149;           > A8 62 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001951B680AF0, 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 0x000001951B685540, 16 bytes long.
 Data: < bh &#149;           > 80 62 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001951B686280, 992 bytes long.
 Data: <@Uh &#149;   &#240; h &#149;   > 40 55 68 1B 95 01 00 00 F0 0A 68 1B 95 01 00 00 
{92} normal block at 0x000001951B681390, 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 0x000001951B67D750, 16 bytes long.
 Data: <&#208;Lh &#149;           > D0 4C 68 1B 95 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001951B684CD0, 40 bytes long.
 Data: <P&#215;g &#149;     h &#149;   > 50 D7 67 1B 95 01 00 00 90 13 68 1B 95 01 00 00 
{69} normal block at 0x000001951B67CFD0, 16 bytes long.
 Data: < &#234;e&#245;&#247;           > 80 EA 65 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001951B67D1B0, 16 bytes long.
 Data: <@&#233;e&#245;&#247;           > 40 E9 65 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001951B67CF80, 16 bytes long.
 Data: <&#248;Wb&#245;&#247;           > F8 57 62 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001951B67D520, 16 bytes long.
 Data: <&#216;Wb&#245;&#247;           > D8 57 62 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001951B67DED0, 16 bytes long.
 Data: <P b&#245;&#247;           > 50 04 62 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001951B67D9D0, 16 bytes long.
 Data: <0 b&#245;&#247;           > 30 04 62 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001951B67DB60, 16 bytes long.
 Data: <&#224; b&#245;&#247;           > E0 02 62 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001951B67D7F0, 16 bytes long.
 Data: <  b&#245;&#247;           > 10 04 62 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001951B67D110, 16 bytes long.
 Data: <p b&#245;&#247;           > 70 04 62 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001951B67DA70, 16 bytes long.
 Data: < &#192;`&#245;&#247;           > 18 C0 60 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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