Task 38618324

Name p38_2_A24_A31_r0_2-QUICO_ATM_OpenFF_NAGL_p38_2-3-6-RND9889_0
Workunit 31569837
Created 18 Apr 2026, 11:56:40 UTC
Sent 18 Apr 2026, 11:56:58 UTC
Report deadline 23 Apr 2026, 11:56:58 UTC
Received 19 Apr 2026, 13:10:36 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652065
Run time 5 hours 23 min 18 sec
CPU time 5 hours 13 min 41 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,813.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 628.07 MB
Peak swap size 5.27 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:23:13 (16248): wrapper (7.9.26016): starting
14:23:13 (16248): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A31_0.pdb
QB_A24_A31_0.xml
QB_A24_A31.inpcrd
QB_A24_A31_input.yaml
QB_A24_A31.pdb
QB_A24_A31.prmtop
QB_A24_A31_sys.xml
run.bat
run.sh
14:23:15 (16248): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:23:15 (16248): 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\2\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\2\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.
13:33:35 (8380): wrapper (7.9.26016): starting
13:33:35 (8380): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r&#130;pertoire ou un fichier C:\ProgramData\BOINC\slots\2\tmp existe d&#130;j&#133;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
15:07:56 (8380): C:/Windows/system32/cmd.exe exited; CPU time 5633.015625
15:07:56 (8380): app exit status: 0x16
15:07:56 (8380): 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: 101111624 bytes.
Dumping objects ->
{1864} normal block at 0x000001FBFB9F5650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1853} normal block at 0x000001FBFB9F55E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1842} normal block at 0x000001FBFB9F5570, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1831} normal block at 0x000001FBFB9F50A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1820} normal block at 0x000001FBFB9F5030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1789} normal block at 0x000001FBFB9DF310, 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) : {1776} normal block at 0x000001FBFB9F5960, 8 bytes long.
 Data: <  0     > 00 00 30 FD FB 01 00 00 
{306} normal block at 0x000001FBFB9F5870, 8 bytes long.
 Data: < k      > B0 6B 9F FB FB 01 00 00 
{297} normal block at 0x000001FBFB9E1C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001FBFB9F66D0, 16 bytes long.
 Data: < j              > B8 6A 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FBFB9F6450, 16 bytes long.
 Data: < j              > 90 6A 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FBFB9F1910, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001FBFB9F6040, 16 bytes long.
 Data: <hj              > 68 6A 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FBFB9F5EB0, 16 bytes long.
 Data: <@j              > 40 6A 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FBFB9F5F50, 16 bytes long.
 Data: < j              > 18 6A 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FBFB9F6310, 16 bytes long.
 Data: < i              > F0 69 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FBFB9F4FC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001FBFB9F6090, 16 bytes long.
 Data: <                > A8 07 9E FB FB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FBFB9F0EF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001FBFB9F5820, 16 bytes long.
 Data: <                > 80 07 9E FB FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FBFB9F6360, 16 bytes long.
 Data: <X               > 58 07 9E FB FB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FBFB9F5E60, 16 bytes long.
 Data: <0               > 30 07 9E FB FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FBFB9F62C0, 16 bytes long.
 Data: <                > 08 07 9E FB FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FBFB9F6400, 16 bytes long.
 Data: <                > E0 06 9E FB FB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FBFB9F5C80, 16 bytes long.
 Data: <                > B8 06 9E FB FB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FBFB9F1490, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001FBFB9F6630, 16 bytes long.
 Data: <                > 90 06 9E FB FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FBFB9E0690, 320 bytes long.
 Data: <0f              > 30 66 9F FB FB 01 00 00 90 14 9F FB FB 01 00 00 
{276} normal block at 0x000001FBFB9F5DC0, 16 bytes long.
 Data: < i              > D0 69 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FBFB9F64A0, 16 bytes long.
 Data: < i              > A8 69 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FBFB9F0E30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001FBFB9F60E0, 16 bytes long.
 Data: < i              > 80 69 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FBFB9F0C50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001FBFB9F5910, 16 bytes long.
 Data: < h              > C8 68 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FBFB9F5D70, 16 bytes long.
 Data: < h              > A0 68 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FBFB9F6590, 16 bytes long.
 Data: <xh              > 78 68 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FBFB9F5AF0, 16 bytes long.
 Data: <Ph              > 50 68 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FBFB9F57D0, 16 bytes long.
 Data: <(h              > 28 68 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FBFB9F5D20, 16 bytes long.
 Data: < h              > 00 68 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FBFB9F5CD0, 16 bytes long.
 Data: < U              > 00 55 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FBFB9F5500, 40 bytes long.
 Data: < \              > D0 5C 9F FB FB 01 00 00 10 F3 9D FB FB 01 00 00 
{262} normal block at 0x000001FBFB9F63B0, 16 bytes long.
 Data: < g              > E0 67 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FBFB9F5C30, 16 bytes long.
 Data: < g              > B8 67 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FBFB9F13D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001FBFB9F65E0, 16 bytes long.
 Data: < g              > 90 67 9F FB FB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FBFB9F6790, 992 bytes long.
 Data: < e              > E0 65 9F FB FB 01 00 00 D0 13 9F FB FB 01 00 00 
{94} normal block at 0x000001FBFB9F0DD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001FBFB9ED940, 16 bytes long.
 Data: <                > D0 EE 9D FB FB 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001FBFB9DEED0, 40 bytes long.
 Data: <@               > 40 D9 9E FB FB 01 00 00 D0 0D 9F FB FB 01 00 00 
{71} normal block at 0x000001FBFB9EDF30, 16 bytes long.
 Data: <  ai            > 80 EA 61 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FBFB9EE020, 16 bytes long.
 Data: <@ ai            > 40 E9 61 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FBFB9ED850, 16 bytes long.
 Data: < W^i            > F8 57 5E 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FBFB9ED620, 16 bytes long.
 Data: < W^i            > D8 57 5E 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FBFB9EDCB0, 16 bytes long.
 Data: <P ^i            > 50 04 5E 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FBFB9ED350, 16 bytes long.
 Data: <0 ^i            > 30 04 5E 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FBFB9EDC60, 16 bytes long.
 Data: <  ^i            > E0 02 5E 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FBFB9ED670, 16 bytes long.
 Data: <  ^i            > 10 04 5E 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FBFB9EDB20, 16 bytes long.
 Data: <p ^i            > 70 04 5E 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FBFB9ED300, 16 bytes long.
 Data: <  \i            > 18 C0 5C 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra