Task 38609713

Name TYK2_A08_A14_r0_3-QUICO_ATM_OpenFF_TYK2-3-6-RND0990_0
Workunit 31562720
Created 15 Apr 2026, 2:17:44 UTC
Sent 15 Apr 2026, 2:17:51 UTC
Report deadline 20 Apr 2026, 2:17:51 UTC
Received 21 Apr 2026, 16:12:53 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 609534
Run time 3 min 14 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,948.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 10.76 MB
Peak swap size 5.17 MB
Peak disk usage 4.13 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
The operating system cannot run %1.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
21:15:13 (9172): wrapper (7.9.26016): starting
21:15:13 (9172): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A14_0.pdb
QB_A08_A14_0.xml
QB_A08_A14.inpcrd
QB_A08_A14_input.yaml
QB_A08_A14.pdb
QB_A08_A14.prmtop
QB_A08_A14_sys.xml
run.bat
run.sh
21:15:16 (9172): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:15:16 (9172): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835428} normal block at 0x00000191F95AD630, 8 bytes long.
 Data: <  U     > 00 00 55 F9 91 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x00000191F959D950, 1080 bytes long.
 Data: <                > 88 7F 00 00 CD CD CD CD A8 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000191F95A1240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
16:42:01 (1880): wrapper (7.9.26016): starting
16:42:01 (1880): 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.
16:46:51 (1880): C:/Windows/system32/cmd.exe exited; CPU time 217.250000
16:46:51 (1880): app exit status: 0x40010004
16:46:51 (1880): 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: 4579010 bytes.
Dumping objects ->
{3850199} normal block at 0x00000191BE9C56A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850188} normal block at 0x00000191BE9C55C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850177} normal block at 0x00000191BE9C5550, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850166} normal block at 0x00000191BE9C4FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850155} normal block at 0x00000191BE9C54E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850124} normal block at 0x00000191C07F99F0, 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) : {3850111} normal block at 0x00000191BE9BDB20, 8 bytes long.
 Data: <  &#151;&#190;&#145;   > 00 00 97 BE 91 01 00 00 
{3848646} normal block at 0x00000191BE9BDF30, 8 bytes long.
 Data: <&#208;&#228;p&#192;&#145;   > D0 E4 70 C0 91 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000191BE9B1740, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000191BE9B2730, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000191BE9C6AB0, 16 bytes long.
 Data: < n&#156;&#190;&#145;           > 98 6E 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000191BE9C6A60, 16 bytes long.
 Data: <pn&#156;&#190;&#145;           > 70 6E 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000191BE9BF980, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000191BE9C6A10, 16 bytes long.
 Data: <Hn&#156;&#190;&#145;           > 48 6E 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000191BE9C5FC0, 16 bytes long.
 Data: < n&#156;&#190;&#145;           > 20 6E 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000191BE9C5D90, 16 bytes long.
 Data: <&#248;m&#156;&#190;&#145;           > F8 6D 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000191BE9C5F70, 16 bytes long.
 Data: <&#208;m&#156;&#190;&#145;           > D0 6D 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000191BE9C5390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000191BE9C6510, 16 bytes long.
 Data: <&#168;&#244;&#154;&#190;&#145;           > A8 F4 9A BE 91 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000191BE9BF860, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000191BE9C6150, 16 bytes long.
 Data: < &#244;&#154;&#190;&#145;           > 80 F4 9A BE 91 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000191BE9C6650, 16 bytes long.
 Data: <X&#244;&#154;&#190;&#145;           > 58 F4 9A BE 91 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000191BE9C6470, 16 bytes long.
 Data: <0&#244;&#154;&#190;&#145;           > 30 F4 9A BE 91 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000191BE9C63D0, 16 bytes long.
 Data: < &#244;&#154;&#190;&#145;           > 08 F4 9A BE 91 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000191BE9C6010, 16 bytes long.
 Data: <&#224;&#243;&#154;&#190;&#145;           > E0 F3 9A BE 91 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000191BE9C6790, 16 bytes long.
 Data: <&#184;&#243;&#154;&#190;&#145;           > B8 F3 9A BE 91 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000191BE9C0280, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000191BE9C6560, 16 bytes long.
 Data: < &#243;&#154;&#190;&#145;           > 90 F3 9A BE 91 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000191BE9AF390, 320 bytes long.
 Data: <`e&#156;&#190;&#145;     &#156;&#190;&#145;   > 60 65 9C BE 91 01 00 00 80 02 9C BE 91 01 00 00 
{277} normal block at 0x00000191BE9C6880, 16 bytes long.
 Data: <&#176;m&#156;&#190;&#145;           > B0 6D 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000191BE9C64C0, 16 bytes long.
 Data: < m&#156;&#190;&#145;           > 88 6D 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000191BE9BF800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000191BE9C5F20, 16 bytes long.
 Data: <`m&#156;&#190;&#145;           > 60 6D 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000191BE9BF7A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000191BE9C69C0, 16 bytes long.
 Data: <&#168;l&#156;&#190;&#145;           > A8 6C 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000191BE9C5C50, 16 bytes long.
 Data: < l&#156;&#190;&#145;           > 80 6C 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000191BE9C5D40, 16 bytes long.
 Data: <Xl&#156;&#190;&#145;           > 58 6C 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000191BE9C6100, 16 bytes long.
 Data: <0l&#156;&#190;&#145;           > 30 6C 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000191BE9C6740, 16 bytes long.
 Data: < l&#156;&#190;&#145;           > 08 6C 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000191BE9C6830, 16 bytes long.
 Data: <&#224;k&#156;&#190;&#145;           > E0 6B 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000191BE9C5ED0, 16 bytes long.
 Data: < P&#156;&#190;&#145;           > 10 50 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000191BE9C5010, 40 bytes long.
 Data: <&#208;^&#156;&#190;&#145;   &#240;  &#192;&#145;   > D0 5E 9C BE 91 01 00 00 F0 99 7F C0 91 01 00 00 
{263} normal block at 0x00000191BE9C60B0, 16 bytes long.
 Data: <&#192;k&#156;&#190;&#145;           > C0 6B 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000191BE9C61F0, 16 bytes long.
 Data: < k&#156;&#190;&#145;           > 98 6B 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000191BE9C0460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000191BE9C6420, 16 bytes long.
 Data: <pk&#156;&#190;&#145;           > 70 6B 9C BE 91 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000191BE9C6B70, 992 bytes long.
 Data: < d&#156;&#190;&#145;   ` &#156;&#190;&#145;   > 20 64 9C BE 91 01 00 00 60 04 9C BE 91 01 00 00 
{95} normal block at 0x00000191BE9BFC20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000191BE9BDAD0, 16 bytes long.
 Data: <&#176;&#212;&#154;&#190;&#145;           > B0 D4 9A BE 91 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000191BE9AD4B0, 40 bytes long.
 Data: <&#208;&#218;&#155;&#190;&#145;    &#252;&#155;&#190;&#145;   > D0 DA 9B BE 91 01 00 00 20 FC 9B BE 91 01 00 00 
{72} normal block at 0x00000191BE9BD990, 16 bytes long.
 Data: < &#234;&#241; &#247;           > 80 EA F1 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000191BE9BDA80, 16 bytes long.
 Data: <@&#233;&#241; &#247;           > 40 E9 F1 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000191BE9BDA30, 16 bytes long.
 Data: <&#248;W&#238; &#247;           > F8 57 EE 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000191BE9BD940, 16 bytes long.
 Data: <&#216;W&#238; &#247;           > D8 57 EE 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000191BE9BD9E0, 16 bytes long.
 Data: <P &#238; &#247;           > 50 04 EE 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000191BE9BDC10, 16 bytes long.
 Data: <0 &#238; &#247;           > 30 04 EE 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000191BE9BD670, 16 bytes long.
 Data: <&#224; &#238; &#247;           > E0 02 EE 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000191BE9BD8A0, 16 bytes long.
 Data: <  &#238; &#247;           > 10 04 EE 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000191BE9BDBC0, 16 bytes long.
 Data: <p &#238; &#247;           > 70 04 EE 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000191BE9BD7B0, 16 bytes long.
 Data: < &#192;&#236; &#247;           > 18 C0 EC 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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