Task 38617716

Name p38_2_A27_A17_r0_5-QUICO_ATM_GAFF2_NAGL_p38_2-1-6-RND4327_0
Workunit 31569329
Created 18 Apr 2026, 6:46:51 UTC
Sent 18 Apr 2026, 6:46:54 UTC
Report deadline 23 Apr 2026, 6:46:54 UTC
Received 19 Apr 2026, 6:05:08 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 616757
Run time 9 hours 12 min 35 sec
CPU time 15 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,215.49 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 413.96 MB
Peak swap size 12.27 GB
Peak disk usage 3.07 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Il sistema operativo non pu� eseguire (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:48:39 (18840): wrapper (7.9.26016): starting
08:48:39 (18840): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A17_0.pdb
QB_A27_A17_0.xml
QB_A27_A17.inpcrd
QB_A27_A17_input.yaml
QB_A27_A17.pdb
QB_A27_A17.prmtop
QB_A27_A17_sys.xml
run.bat
run.sh
08:48:41 (18840): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:48:41 (18840): 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\4\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\4\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.
08:03:06 (19444): wrapper (7.9.26016): starting
08:03:06 (19444): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A17_0.pdb
QB_A27_A17_0.xml
QB_A27_A17.inpcrd
QB_A27_A17_input.yaml
QB_A27_A17.pdb
QB_A27_A17.prmtop
QB_A27_A17_sys.xml
run.bat
run.sh
08:03:07 (19444): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:03:07 (19444): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file C:\ProgramData\BOINC\slots\4\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
08:03:29 (19444): C:/Windows/system32/cmd.exe exited; CPU time 15.968750
08:03:29 (19444): app exit status: 0x16
08:03:29 (19444): 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: 468209 bytes.
Dumping objects ->
{1620} normal block at 0x000001FA5CA7CCD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1609} normal block at 0x000001FA5CA7CBF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1598} normal block at 0x000001FA5CA7C950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1587} normal block at 0x000001FA5CA7CB10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1576} normal block at 0x000001FA5CA7C870, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1545} normal block at 0x000001FA5CA68E30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1534} normal block at 0x000001FA5CA6B6C0, 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) : {1531} normal block at 0x000001FA5CA82F00, 8 bytes long.
 Data: <  M^    > 00 00 4D 5E FA 01 00 00 
{907} normal block at 0x000001FA5CA63170, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{299} normal block at 0x000001FA5CA83630, 8 bytes long.
 Data: < B \    > B0 42 A8 5C FA 01 00 00 
{290} normal block at 0x000001FA5CA7DA00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001FA5CA837C0, 16 bytes long.
 Data: < A \            > B8 41 A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FA5CA82EB0, 16 bytes long.
 Data: < A \            > 90 41 A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FA5CA7E8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001FA5CA83360, 16 bytes long.
 Data: <hA \            > 68 41 A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FA5CA836D0, 16 bytes long.
 Data: <@A \            > 40 41 A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FA5CA83040, 16 bytes long.
 Data: < A \            > 18 41 A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FA5CA832C0, 16 bytes long.
 Data: < @ \            > F0 40 A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FA5CA7C790, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001FA5CA82E60, 16 bytes long.
 Data: <   \            > 98 D9 A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FA5CA7E040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001FA5CA83900, 16 bytes long.
 Data: <p  \            > 70 D9 A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FA5CA83220, 16 bytes long.
 Data: <H  \            > 48 D9 A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FA5CA83310, 16 bytes long.
 Data: <   \            > 20 D9 A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FA5CA83270, 16 bytes long.
 Data: <   \            > F8 D8 A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FA5CA834F0, 16 bytes long.
 Data: <   \            > D0 D8 A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FA5CA831D0, 16 bytes long.
 Data: <   \            > A8 D8 A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FA5CA7E400, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001FA5CA82DC0, 16 bytes long.
 Data: <   \            > 80 D8 A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FA5CA7D880, 320 bytes long.
 Data: < - \       \    > C0 2D A8 5C FA 01 00 00 00 E4 A7 5C FA 01 00 00 
{269} normal block at 0x000001FA5CA83680, 16 bytes long.
 Data: < @ \            > D0 40 A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FA5CA82D20, 16 bytes long.
 Data: < @ \            > A8 40 A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FA5CA7DE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001FA5CA82FA0, 16 bytes long.
 Data: < @ \            > 80 40 A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FA5CA7E2E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001FA5CA83590, 16 bytes long.
 Data: < ? \            > C8 3F A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FA5CA82E10, 16 bytes long.
 Data: < ? \            > A0 3F A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FA5CA839F0, 16 bytes long.
 Data: <x? \            > 78 3F A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FA5CA83B80, 16 bytes long.
 Data: <P? \            > 50 3F A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FA5CA83180, 16 bytes long.
 Data: <(? \            > 28 3F A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FA5CA83A40, 16 bytes long.
 Data: < ? \            > 00 3F A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FA5CA83C70, 16 bytes long.
 Data: <   \            > A0 CA A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FA5CA7CAA0, 40 bytes long.
 Data: <p< \    0  \    > 70 3C A8 5C FA 01 00 00 30 8E A6 5C FA 01 00 00 
{255} normal block at 0x000001FA5CA830E0, 16 bytes long.
 Data: < > \            > E0 3E A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FA5CA83A90, 16 bytes long.
 Data: < > \            > B8 3E A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FA5CA7E4C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001FA5CA82FF0, 16 bytes long.
 Data: < > \            > 90 3E A8 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001FA5CA83E90, 992 bytes long.
 Data: < / \       \    > F0 2F A8 5C FA 01 00 00 C0 E4 A7 5C FA 01 00 00 
{87} normal block at 0x000001FA5CA7E340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001FA5CA78390, 16 bytes long.
 Data: <0  \            > 30 CA A7 5C FA 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001FA5CA7CA30, 40 bytes long.
 Data: <   \    @  \    > 90 83 A7 5C FA 01 00 00 40 E3 A7 5C FA 01 00 00 
{64} normal block at 0x000001FA5CA78340, 16 bytes long.
 Data: <   U            > 80 EA F5 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FA5CA78520, 16 bytes long.
 Data: <@  U            > 40 E9 F5 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FA5CA78660, 16 bytes long.
 Data: < W U            > F8 57 F2 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FA5CA77E90, 16 bytes long.
 Data: < W U            > D8 57 F2 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FA5CA77EE0, 16 bytes long.
 Data: <P  U            > 50 04 F2 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FA5CA77F80, 16 bytes long.
 Data: <0  U            > 30 04 F2 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FA5CA78840, 16 bytes long.
 Data: <   U            > E0 02 F2 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FA5CA78070, 16 bytes long.
 Data: <   U            > 10 04 F2 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FA5CA77AD0, 16 bytes long.
 Data: <p  U            > 70 04 F2 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FA5CA77BC0, 16 bytes long.
 Data: <   U            > 18 C0 F0 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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