Task 38605567

Name tnks2_A18_A26_r0_1-QUICO_ATM_GAFF2_NAGL_TNKS2-1-6-RND9918_0
Workunit 31559431
Created 13 Apr 2026, 21:06:46 UTC
Sent 13 Apr 2026, 21:06:53 UTC
Report deadline 18 Apr 2026, 21:06:53 UTC
Received 15 Apr 2026, 3:21:55 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 650990
Run time 1 days 4 hours 4 min 30 sec
CPU time 1 days 1 hours 38 min 21 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 2,719.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 544.17 MB
Peak swap size 12.54 GB
Peak disk usage 3.30 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:22:05 (15076): wrapper (7.9.26016): starting
17:22:05 (15076): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A26_0.pdb
QB_A18_A26_0.xml
QB_A18_A26.inpcrd
QB_A18_A26_input.yaml
QB_A18_A26.pdb
QB_A18_A26.prmtop
QB_A18_A26_sys.xml
run.bat
run.sh
17:22:17 (15076): Library/usr/bin/tar.exe exited; CPU time 1.031250
17:22:17 (15076): 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 'D:\ProgramData\BOINC\slots\30\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 'D:\ProgramData\BOINC\slots\30\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.
23:15:54 (15076): C:/Windows/system32/cmd.exe exited; CPU time 98623.453125
23:15:54 (15076): app exit status: 0x16
23:15:54 (15076): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 1661791057 bytes.
Dumping objects ->
{3835281} normal block at 0x00000214566CD720, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x00000214566CCE60, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000214566CD8E0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835248} normal block at 0x00000214549B0480, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000214549B0410, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835206} normal block at 0x00000214567169A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000002145662C920, 141 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) : {3835192} normal block at 0x00000214549AD940, 8 bytes long.
 Data: <  &#151;T    > 00 00 97 54 14 02 00 00 
{3834567} normal block at 0x000002145662C2A0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000214549ADE40, 8 bytes long.
 Data: <0&#173; T    > 30 AD 9D 54 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000214549A0860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000214549A1F30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000214549B5980, 16 bytes long.
 Data: <&#232;i&#155;T            > E8 69 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000214549B60B0, 16 bytes long.
 Data: <&#192;i&#155;T            > C0 69 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000214549B1180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000214549B5CF0, 16 bytes long.
 Data: < i&#155;T            > 98 69 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000214549B62E0, 16 bytes long.
 Data: <pi&#155;T            > 70 69 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000214549B5930, 16 bytes long.
 Data: <Hi&#155;T            > 48 69 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000214549B5F70, 16 bytes long.
 Data: < i&#155;T            > 20 69 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000214549B0870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000214549B6420, 16 bytes long.
 Data: <( &#154;T            > 28 07 9A 54 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000214549B0FA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000214549B5ED0, 16 bytes long.
 Data: <  &#154;T            > 00 07 9A 54 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000214549B58E0, 16 bytes long.
 Data: <&#216; &#154;T            > D8 06 9A 54 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000214549B6240, 16 bytes long.
 Data: <&#176; &#154;T            > B0 06 9A 54 14 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000214549B5890, 16 bytes long.
 Data: <  &#154;T            > 88 06 9A 54 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000214549B6600, 16 bytes long.
 Data: <` &#154;T            > 60 06 9A 54 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000214549B61A0, 16 bytes long.
 Data: <8 &#154;T            > 38 06 9A 54 14 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000214549B19C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000214549B5E80, 16 bytes long.
 Data: <  &#154;T            > 10 06 9A 54 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000214549A0610, 320 bytes long.
 Data: < ^&#155;T    &#192; &#155;T    > 80 5E 9B 54 14 02 00 00 C0 19 9B 54 14 02 00 00 
{273} normal block at 0x00000214549B57F0, 16 bytes long.
 Data: < i&#155;T            > 00 69 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000214549B5840, 16 bytes long.
 Data: <&#216;h&#155;T            > D8 68 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000214549B1240, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000214549B65B0, 16 bytes long.
 Data: <&#176;h&#155;T            > B0 68 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000214549B0DC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000214549B5750, 16 bytes long.
 Data: <&#248;g&#155;T            > F8 67 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000214549B63D0, 16 bytes long.
 Data: <&#208;g&#155;T            > D0 67 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000214549B5CA0, 16 bytes long.
 Data: <&#168;g&#155;T            > A8 67 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000214549B6100, 16 bytes long.
 Data: < g&#155;T            > 80 67 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000214549B5AC0, 16 bytes long.
 Data: <Xg&#155;T            > 58 67 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000214549B5C50, 16 bytes long.
 Data: <0g&#155;T            > 30 67 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000214549B5C00, 16 bytes long.
 Data: <&#240; &#155;T            > F0 04 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000214549B04F0, 40 bytes long.
 Data: < \&#155;T    &#160;iqV    > 00 5C 9B 54 14 02 00 00 A0 69 71 56 14 02 00 00 
{259} normal block at 0x00000214549B5B10, 16 bytes long.
 Data: < g&#155;T            > 10 67 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000214549B6380, 16 bytes long.
 Data: <&#232;f&#155;T            > E8 66 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000214549B1120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000214549B57A0, 16 bytes long.
 Data: <&#192;f&#155;T            > C0 66 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000214549B66C0, 992 bytes long.
 Data: <&#160;W&#155;T      &#155;T    > A0 57 9B 54 14 02 00 00 20 11 9B 54 14 02 00 00 
{91} normal block at 0x00000214549B14E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000214549AD8F0, 16 bytes long.
 Data: <` &#155;T            > 60 05 9B 54 14 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000214549B0560, 40 bytes long.
 Data: <&#240;&#216;&#154;T    &#224; &#155;T    > F0 D8 9A 54 14 02 00 00 E0 14 9B 54 14 02 00 00 
{68} normal block at 0x00000214549AD800, 16 bytes long.
 Data: < &#234;2P&#246;           > 80 EA 32 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000214549ADC60, 16 bytes long.
 Data: <@&#233;2P&#246;           > 40 E9 32 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000214549AD7B0, 16 bytes long.
 Data: <&#248;W/P&#246;           > F8 57 2F 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000214549AD210, 16 bytes long.
 Data: <&#216;W/P&#246;           > D8 57 2F 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000214549ADA30, 16 bytes long.
 Data: <P /P&#246;           > 50 04 2F 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000214549AD710, 16 bytes long.
 Data: <0 /P&#246;           > 30 04 2F 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000214549AD490, 16 bytes long.
 Data: <&#224; /P&#246;           > E0 02 2F 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000214549ADCB0, 16 bytes long.
 Data: <  /P&#246;           > 10 04 2F 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000214549AD1C0, 16 bytes long.
 Data: <p /P&#246;           > 70 04 2F 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000214549AD850, 16 bytes long.
 Data: < &#192;-P&#246;           > 18 C0 2D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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