Task 38607763

Name TYK2_A09_A05_r0_4-QUICO_ATM_OpenFF_TYK2-1-6-RND4513_0
Workunit 31561205
Created 14 Apr 2026, 13:37:11 UTC
Sent 14 Apr 2026, 13:37:18 UTC
Report deadline 19 Apr 2026, 13:37:18 UTC
Received 16 Apr 2026, 9:53:45 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 611579
Run time 15 hours 30 min 39 sec
CPU time 14 hours 43 min 15 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 7,606.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 632.72 MB
Peak swap size 8.34 GB
Peak disk usage 3.06 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Il sistema operativo non pu� eseguire .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:44:29 (19920): wrapper (7.9.26016): starting
15:44:29 (19920): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A05_0.pdb
QB_A09_A05_0.xml
QB_A09_A05.inpcrd
QB_A09_A05_input.yaml
QB_A09_A05.pdb
QB_A09_A05.prmtop
QB_A09_A05_sys.xml
run.bat
run.sh
15:44:30 (19920): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:44:30 (19920): 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:\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 'D:\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.
08:43:29 (18984): wrapper (7.9.26016): starting
08:43:29 (18984): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file D:\BOINC\slots\0\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
08:45:05 (3216): wrapper (7.9.26016): starting
08:45:05 (3216): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file D:\BOINC\slots\0\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
11:24:59 (3216): C:/Windows/system32/cmd.exe exited; CPU time 9457.843750
11:24:59 (3216): app exit status: 0x16
11:24:59 (3216): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 181928030 bytes.
Dumping objects ->
{1871} normal block at 0x0000020D688E6D50, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1860} normal block at 0x0000020D688E4F10, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1849} normal block at 0x0000020D688E4BB0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{1838} normal block at 0x0000020D688E4A90, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1827} normal block at 0x0000020D688E55D0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{1796} normal block at 0x0000020D688E6CE0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {1783} normal block at 0x0000020D688EBD60, 8 bytes long.
 Data: <   h    > 00 00 8B 68 0D 02 00 00 
{305} normal block at 0x0000020D688EBB30, 8 bytes long.
 Data: <   h    > E0 C7 8E 68 0D 02 00 00 
{296} normal block at 0x0000020D688D5E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000020D688EB540, 16 bytes long.
 Data: <   h            > E8 C6 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020D688EBF90, 16 bytes long.
 Data: <   h            > C0 C6 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020D688E4B50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000020D688EB4F0, 16 bytes long.
 Data: <   h            > 98 C6 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020D688EBF40, 16 bytes long.
 Data: <p  h            > 70 C6 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020D688EB4A0, 16 bytes long.
 Data: <H  h            > 48 C6 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020D688EBEF0, 16 bytes long.
 Data: <   h            > 20 C6 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020D688E6DC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000020D688EBE00, 16 bytes long.
 Data: < ) h            > 98 29 8D 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020D688E4A30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000020D688EBDB0, 16 bytes long.
 Data: <p) h            > 70 29 8D 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020D688EC260, 16 bytes long.
 Data: <H) h            > 48 29 8D 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020D688EC210, 16 bytes long.
 Data: < ) h            > 20 29 8D 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020D688EBD10, 16 bytes long.
 Data: < ( h            > F8 28 8D 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020D688EC0D0, 16 bytes long.
 Data: < ( h            > D0 28 8D 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020D688EBAE0, 16 bytes long.
 Data: < ( h            > A8 28 8D 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020D688E4910, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000020D688EBA90, 16 bytes long.
 Data: < ( h            > 80 28 8D 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020D688D2880, 320 bytes long.
 Data: <   h     I h    > 90 BA 8E 68 0D 02 00 00 10 49 8E 68 0D 02 00 00 
{275} normal block at 0x0000020D688EB950, 16 bytes long.
 Data: <   h            > 00 C6 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020D688EB900, 16 bytes long.
 Data: <   h            > D8 C5 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020D688E5090, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000020D688EB720, 16 bytes long.
 Data: <   h            > B0 C5 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020D688E54B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000020D688EB450, 16 bytes long.
 Data: <   h            > F8 C4 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020D688EBA40, 16 bytes long.
 Data: <   h            > D0 C4 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020D688EBCC0, 16 bytes long.
 Data: <   h            > A8 C4 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020D688EB9F0, 16 bytes long.
 Data: <   h            > 80 C4 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020D688EC170, 16 bytes long.
 Data: <X  h            > 58 C4 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020D688EC1C0, 16 bytes long.
 Data: <0  h            > 30 C4 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020D688EB400, 16 bytes long.
 Data: < p h            > D0 70 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020D688E70D0, 40 bytes long.
 Data: <   h     l h    > 00 B4 8E 68 0D 02 00 00 E0 6C 8E 68 0D 02 00 00 
{261} normal block at 0x0000020D688EC300, 16 bytes long.
 Data: <   h            > 10 C4 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020D688EBC70, 16 bytes long.
 Data: <   h            > E8 C3 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020D688E5450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000020D688EBC20, 16 bytes long.
 Data: <   h            > C0 C3 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020D688EC3C0, 992 bytes long.
 Data: <   h    PT h    > 20 BC 8E 68 0D 02 00 00 50 54 8E 68 0D 02 00 00 
{93} normal block at 0x0000020D688E4850, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000020D688DF220, 16 bytes long.
 Data: <`p h            > 60 70 8E 68 0D 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020D688E7060, 40 bytes long.
 Data: <   h    PH h    > 20 F2 8D 68 0D 02 00 00 50 48 8E 68 0D 02 00 00 
{70} normal block at 0x0000020D688DF9A0, 16 bytes long.
 Data: <  P             > 80 EA 50 F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020D688DF630, 16 bytes long.
 Data: <@ P             > 40 E9 50 F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020D688DF090, 16 bytes long.
 Data: < WM             > F8 57 4D F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020D688DFEF0, 16 bytes long.
 Data: < WM             > D8 57 4D F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020D688DF900, 16 bytes long.
 Data: <P M             > 50 04 4D F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020D688DF040, 16 bytes long.
 Data: <0 M             > 30 04 4D F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020D688DFEA0, 16 bytes long.
 Data: <  M             > E0 02 4D F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020D688DFF40, 16 bytes long.
 Data: <  M             > 10 04 4D F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020D688DF7C0, 16 bytes long.
 Data: <p M             > 70 04 4D F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020D688DFE00, 16 bytes long.
 Data: <  K             > 18 C0 4B F8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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