Task 38600284

Name p38_A19_A31_r0_5-QUICO_ATM_GAFF2_NAGL_p38-1-6-RND3015_0
Workunit 31555035
Created 9 Apr 2026, 1:58:38 UTC
Sent 9 Apr 2026, 1:58:44 UTC
Report deadline 14 Apr 2026, 1:58:44 UTC
Received 9 Apr 2026, 2:09:06 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648521
Run time 5 min 30 sec
CPU time 13 sec
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 56.64 MB
Peak swap size 41.04 MB
Peak disk usage 2.79 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>
22:03:43 (18276): wrapper (7.9.26016): starting
22:03:43 (18276): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A31_0.pdb
QB_A19_A31_0.xml
QB_A19_A31.inpcrd
QB_A19_A31_input.yaml
QB_A19_A31.pdb
QB_A19_A31.prmtop
QB_A19_A31_sys.xml
run.bat
run.sh
22:03:53 (18276): Library/usr/bin/tar.exe exited; CPU time 0.031250
22:03:53 (18276): 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\26\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\26\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\26\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\26\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\26\Lib\site-packages\atom_openmm\openmm_async_re.py", line 10, in <module>
    import openmm as mm
  File "C:\ProgramData\BOINC\slots\26\Lib\site-packages\openmm\__init__.py", line 24, in <module>
    from openmm.openmm import *
  File "C:\ProgramData\BOINC\slots\26\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.
22:05:47 (18276): C:/Windows/system32/cmd.exe exited; CPU time 12.984375
22:05:47 (18276): app exit status: 0x16
22:05:47 (18276): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 1662017 bytes.
Dumping objects ->
{3835282} normal block at 0x00000179794FC810, 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 0x00000179794FCF80, 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 0x00000179794FC5E0, 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 0x00000179777F4980, 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 0x00000179777F4910, 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 0x0000017979544EF0, 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 0x0000017977859C10, 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 0x00000179777EDC90, 8 bytes long.
 Data: <  {wy   > 00 00 7B 77 79 01 00 00 
{3834569} normal block at 0x0000017977859E80, 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 0x00000179777ED970, 8 bytes long.
 Data: <&#192;6Zyy   > C0 36 5A 79 79 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000179777E0B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000179777E2530, 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 0x00000179777F5210, 16 bytes long.
 Data: <&#248;d wy           > F8 64 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000179777F5F30, 16 bytes long.
 Data: <&#208;d wy           > D0 64 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000179777F10A0, 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 0x00000179777F5990, 16 bytes long.
 Data: <&#168;d wy           > A8 64 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000179777F59E0, 16 bytes long.
 Data: < d wy           > 80 64 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000179777F5EE0, 16 bytes long.
 Data: <Xd wy           > 58 64 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000179777F5800, 16 bytes long.
 Data: <0d wy           > 30 64 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000179777F4BB0, 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 0x00000179777F5E90, 16 bytes long.
 Data: <H&#237;}wy           > 48 ED 7D 77 79 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000179777F1340, 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 0x00000179777F54E0, 16 bytes long.
 Data: < &#237;}wy           > 20 ED 7D 77 79 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000179777F5E40, 16 bytes long.
 Data: <&#248;&#236;}wy           > F8 EC 7D 77 79 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000179777F5940, 16 bytes long.
 Data: <&#208;&#236;}wy           > D0 EC 7D 77 79 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000179777F5D00, 16 bytes long.
 Data: <&#168;&#236;}wy           > A8 EC 7D 77 79 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000179777F53F0, 16 bytes long.
 Data: < &#236;}wy           > 80 EC 7D 77 79 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000179777F6020, 16 bytes long.
 Data: <X&#236;}wy           > 58 EC 7D 77 79 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000179777F0F20, 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 0x00000179777F5710, 16 bytes long.
 Data: <0&#236;}wy           > 30 EC 7D 77 79 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000179777DEC30, 320 bytes long.
 Data: < W wy      wy   > 10 57 7F 77 79 01 00 00 20 0F 7F 77 79 01 00 00 
{274} normal block at 0x00000179777F58A0, 16 bytes long.
 Data: < d wy           > 10 64 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000179777F5DF0, 16 bytes long.
 Data: <&#232;c wy           > E8 63 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000179777F0AA0, 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 0x00000179777F55D0, 16 bytes long.
 Data: <&#192;c wy           > C0 63 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000179777F0EC0, 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 0x00000179777F5530, 16 bytes long.
 Data: < c wy           > 08 63 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000179777F5490, 16 bytes long.
 Data: <&#224;b wy           > E0 62 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000179777F5B20, 16 bytes long.
 Data: <&#184;b wy           > B8 62 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000179777F6070, 16 bytes long.
 Data: < b wy           > 90 62 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000179777F5440, 16 bytes long.
 Data: <hb wy           > 68 62 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000179777F5F80, 16 bytes long.
 Data: <@b wy           > 40 62 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000179777F5DA0, 16 bytes long.
 Data: <`J wy           > 60 4A 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000179777F4A60, 40 bytes long.
 Data: <&#160;] wy   &#240;NTyy   > A0 5D 7F 77 79 01 00 00 F0 4E 54 79 79 01 00 00 
{260} normal block at 0x00000179777F5B70, 16 bytes long.
 Data: < b wy           > 20 62 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000179777F53A0, 16 bytes long.
 Data: <&#248;a wy           > F8 61 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000179777F1280, 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 0x00000179777F6160, 16 bytes long.
 Data: <&#208;a wy           > D0 61 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000179777F61D0, 992 bytes long.
 Data: <`a wy      wy   > 60 61 7F 77 79 01 00 00 80 12 7F 77 79 01 00 00 
{92} normal block at 0x00000179777F1160, 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 0x00000179777ED330, 16 bytes long.
 Data: <&#192;G wy           > C0 47 7F 77 79 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000179777F47C0, 40 bytes long.
 Data: <0&#211;~wy   `  wy   > 30 D3 7E 77 79 01 00 00 60 11 7F 77 79 01 00 00 
{69} normal block at 0x00000179777ED0B0, 16 bytes long.
 Data: < &#234;P&#161;&#247;           > 80 EA 50 A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000179777EDBF0, 16 bytes long.
 Data: <@&#233;P&#161;&#247;           > 40 E9 50 A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000179777ED6F0, 16 bytes long.
 Data: <&#248;WM&#161;&#247;           > F8 57 4D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000179777ECF20, 16 bytes long.
 Data: <&#216;WM&#161;&#247;           > D8 57 4D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000179777ED650, 16 bytes long.
 Data: <P M&#161;&#247;           > 50 04 4D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000179777ED380, 16 bytes long.
 Data: <0 M&#161;&#247;           > 30 04 4D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000179777ED880, 16 bytes long.
 Data: <&#224; M&#161;&#247;           > E0 02 4D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000179777ED8D0, 16 bytes long.
 Data: <  M&#161;&#247;           > 10 04 4D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000179777ED1F0, 16 bytes long.
 Data: <p M&#161;&#247;           > 70 04 4D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000179777EDE20, 16 bytes long.
 Data: < &#192;K&#161;&#247;           > 18 C0 4B A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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