Task 38627795

Name	p38_2_A15_A03_r0_3-QUICO_ATM_GAFF2_NAGL_p38_2-3-6-RND1728_1
Workunit	31577482
Created	24 Apr 2026, 13:22:01 UTC
Sent	24 Apr 2026, 13:22:19 UTC
Report deadline	29 Apr 2026, 13:22:19 UTC
Received	24 Apr 2026, 20:55:31 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	640971
Run time	2 hours 4 min 4 sec
CPU time	2 hours 2 min 3 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	5,119.23 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	634.98 MB
Peak swap size	6.66 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:26:41 (14536): wrapper (7.9.26016): starting
14:26:41 (14536): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A03_0.pdb
QB_A15_A03_0.xml
QB_A15_A03.inpcrd
QB_A15_A03_input.yaml
QB_A15_A03.pdb
QB_A15_A03.prmtop
QB_A15_A03_sys.xml
run.bat
run.sh
14:26:43 (14536): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:26:44 (14536): 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.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
18:13:33 (15528): wrapper (7.9.26016): starting
18:13:33 (15528): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
19:18:07 (15528): C:/Windows/system32/cmd.exe exited; CPU time 3829.546875
19:18:07 (15528): app exit status: 0x40010004
19:18:07 (15528): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 57650688 bytes.
Dumping objects ->
{1567} normal block at 0x000002D96367F430, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1556} normal block at 0x000002D96367F580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1545} normal block at 0x000002D96367F660, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1534} normal block at 0x000002D96367F2E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1523} normal block at 0x000002D96367F7B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1492} normal block at 0x000002D96366F240, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1481} normal block at 0x000002D9636806B0, 102 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) : {1478} normal block at 0x000002D963685810, 8 bytes long.
 Data: <   c    > 00 00 99 63 D9 02 00 00 
{882} normal block at 0x000002D96366ED70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{304} normal block at 0x000002D963685860, 8 bytes long.
 Data: < fhc    > F0 66 68 63 D9 02 00 00 
{295} normal block at 0x000002D9636725A0, 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 0x000002D963686260, 16 bytes long.
 Data: < ehc            > F8 65 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D963685A90, 16 bytes long.
 Data: < ehc            > D0 65 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002D963681170, 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 0x000002D9636859F0, 16 bytes long.
 Data: < ehc            > A8 65 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D963685F90, 16 bytes long.
 Data: < ehc            > 80 65 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D9636859A0, 16 bytes long.
 Data: <Xehc            > 58 65 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D963685C70, 16 bytes long.
 Data: <0ehc            > 30 65 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D96367F270, 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 0x000002D963685900, 16 bytes long.
 Data: <  gc            > D8 06 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D9636810B0, 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 0x000002D9636858B0, 16 bytes long.
 Data: <  gc            > B0 06 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D963686030, 16 bytes long.
 Data: <  gc            > 88 06 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D963685C20, 16 bytes long.
 Data: <` gc            > 60 06 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D963686080, 16 bytes long.
 Data: <8 gc            > 38 06 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D9636861C0, 16 bytes long.
 Data: <  gc            > 10 06 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D963685F40, 16 bytes long.
 Data: <  gc            > E8 05 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D963680870, 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 0x000002D9636860D0, 16 bytes long.
 Data: <  gc            > C0 05 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D9636705C0, 320 bytes long.
 Data: < `hc    p hc    > D0 60 68 63 D9 02 00 00 70 08 68 63 D9 02 00 00 
{274} normal block at 0x000002D963685E50, 16 bytes long.
 Data: < ehc            > 10 65 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D963685A40, 16 bytes long.
 Data: < dhc            > E8 64 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D963680C90, 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 0x000002D9636853B0, 16 bytes long.
 Data: < dhc            > C0 64 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D963681050, 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 0x000002D9636854F0, 16 bytes long.
 Data: < dhc            > 08 64 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D963685720, 16 bytes long.
 Data: < chc            > E0 63 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D963685310, 16 bytes long.
 Data: < chc            > B8 63 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D963685E00, 16 bytes long.
 Data: < chc            > 90 63 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D9636856D0, 16 bytes long.
 Data: <hchc            > 68 63 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D963685EF0, 16 bytes long.
 Data: <@chc            > 40 63 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D963685BD0, 16 bytes long.
 Data: <@ gc            > 40 F7 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D96367F740, 40 bytes long.
 Data: < [hc    @ fc    > D0 5B 68 63 D9 02 00 00 40 F2 66 63 D9 02 00 00 
{260} normal block at 0x000002D963685DB0, 16 bytes long.
 Data: < chc            > 20 63 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D963685590, 16 bytes long.
 Data: < bhc            > F8 62 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002D963680810, 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 0x000002D963685EA0, 16 bytes long.
 Data: < bhc            > D0 62 68 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002D9636862D0, 992 bytes long.
 Data: < ^hc      hc    > A0 5E 68 63 D9 02 00 00 10 08 68 63 D9 02 00 00 
{92} normal block at 0x000002D963680F30, 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 0x000002D96367D110, 16 bytes long.
 Data: <  gc            > 10 F5 67 63 D9 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002D96367F510, 40 bytes long.
 Data: <  gc    0 hc    > 10 D1 67 63 D9 02 00 00 30 0F 68 63 D9 02 00 00 
{69} normal block at 0x000002D96367D0C0, 16 bytes long.
 Data: <                > 80 EA E0 CE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D96367D4D0, 16 bytes long.
 Data: <@               > 40 E9 E0 CE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D96367DAC0, 16 bytes long.
 Data: < W              > F8 57 DD CE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D96367DED0, 16 bytes long.
 Data: < W              > D8 57 DD CE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D96367CFD0, 16 bytes long.
 Data: <P               > 50 04 DD CE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D96367D750, 16 bytes long.
 Data: <0               > 30 04 DD CE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D96367DC50, 16 bytes long.
 Data: <                > E0 02 DD CE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D96367DC00, 16 bytes long.
 Data: <                > 10 04 DD CE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D96367D570, 16 bytes long.
 Data: <p               > 70 04 DD CE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D96367DA70, 16 bytes long.
 Data: <                > 18 C0 DB CE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>