Task 38620718

Name p38_2_A32_A23_r0_5-QUICO_ATM_OpenFF_NAGL_p38_2-1-6-RND0253_0
Workunit 31571838
Created 19 Apr 2026, 11:34:57 UTC
Sent 19 Apr 2026, 11:35:03 UTC
Report deadline 24 Apr 2026, 11:35:03 UTC
Received 19 Apr 2026, 17:02:56 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 616170
Run time 4 hours 2 min 16 sec
CPU time 3 hours 56 min 41 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,506.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 638.37 MB
Peak swap size 9.89 GB
Peak disk usage 3.05 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>
13:38:38 (18072): wrapper (7.9.26016): starting
13:38:38 (18072): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A23_0.pdb
QB_A32_A23_0.xml
QB_A32_A23.inpcrd
QB_A32_A23_input.yaml
QB_A32_A23.pdb
QB_A32_A23.prmtop
QB_A32_A23_sys.xml
run.bat
run.sh
13:38:41 (18072): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:38:41 (18072): 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.
18:57:58 (18072): C:/Windows/system32/cmd.exe exited; CPU time 18930.281250
18:57:58 (18072): app exit status: 0x40010004
18:57:58 (18072): 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: 275554517 bytes.
Dumping objects ->
{3835248} normal block at 0x000001A85EC2CAF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000001A85CE253E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001A85CE25370, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x000001A85CE25300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000001A85CE25290, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x000001A85EC77B60, 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) : {3835160} normal block at 0x000001A85CE1D560, 8 bytes long.
 Data: <  4]&#168;   > 00 00 34 5D A8 01 00 00 
{3833961} normal block at 0x000001A85CE1DA60, 8 bytes long.
 Data: <pK&#205;^&#168;   > 70 4B CD 5E A8 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001A85CE10D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A85CE123C0, 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 0x000001A85CE25ED0, 16 bytes long.
 Data: <&#200;k&#226;\&#168;           > C8 6B E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A85CE25F70, 16 bytes long.
 Data: <&#160;k&#226;\&#168;           > A0 6B E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A85CE21020, 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 0x000001A85CE26560, 16 bytes long.
 Data: <xk&#226;\&#168;           > 78 6B E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A85CE260B0, 16 bytes long.
 Data: <Pk&#226;\&#168;           > 50 6B E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A85CE25E80, 16 bytes long.
 Data: <(k&#226;\&#168;           > 28 6B E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A85CE263D0, 16 bytes long.
 Data: < k&#226;\&#168;           > 00 6B E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A85CE257D0, 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 0x000001A85CE26290, 16 bytes long.
 Data: <H &#226;\&#168;           > 48 0B E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A85CE21A40, 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 0x000001A85CE259D0, 16 bytes long.
 Data: <  &#226;\&#168;           > 20 0B E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A85CE25980, 16 bytes long.
 Data: <&#248; &#226;\&#168;           > F8 0A E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A85CE25D40, 16 bytes long.
 Data: <&#208; &#226;\&#168;           > D0 0A E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A85CE26010, 16 bytes long.
 Data: <&#168; &#226;\&#168;           > A8 0A E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A85CE25930, 16 bytes long.
 Data: <  &#226;\&#168;           > 80 0A E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A85CE258E0, 16 bytes long.
 Data: <X &#226;\&#168;           > 58 0A E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A85CE20DE0, 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 0x000001A85CE26650, 16 bytes long.
 Data: <0 &#226;\&#168;           > 30 0A E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A85CE20A30, 320 bytes long.
 Data: <Pf&#226;\&#168;   &#224; &#226;\&#168;   > 50 66 E2 5C A8 01 00 00 E0 0D E2 5C A8 01 00 00 
{276} normal block at 0x000001A85CE26380, 16 bytes long.
 Data: <&#224;j&#226;\&#168;           > E0 6A E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A85CE267E0, 16 bytes long.
 Data: <&#184;j&#226;\&#168;           > B8 6A E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A85CE215C0, 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 0x000001A85CE26330, 16 bytes long.
 Data: < j&#226;\&#168;           > 90 6A E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A85CE219E0, 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 0x000001A85CE25D90, 16 bytes long.
 Data: <&#216;i&#226;\&#168;           > D8 69 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A85CE25CA0, 16 bytes long.
 Data: <&#176;i&#226;\&#168;           > B0 69 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A85CE26510, 16 bytes long.
 Data: < i&#226;\&#168;           > 88 69 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A85CE25F20, 16 bytes long.
 Data: <`i&#226;\&#168;           > 60 69 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A85CE25AC0, 16 bytes long.
 Data: <8i&#226;\&#168;           > 38 69 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A85CE26740, 16 bytes long.
 Data: < i&#226;\&#168;           > 10 69 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A85CE266F0, 16 bytes long.
 Data: < V&#226;\&#168;           > 10 56 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A85CE25610, 40 bytes long.
 Data: <&#240;f&#226;\&#168;   `{&#199;^&#168;   > F0 66 E2 5C A8 01 00 00 60 7B C7 5E A8 01 00 00 
{262} normal block at 0x000001A85CE25B10, 16 bytes long.
 Data: <&#240;h&#226;\&#168;           > F0 68 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A85CE26600, 16 bytes long.
 Data: <&#200;h&#226;\&#168;           > C8 68 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A85CE211A0, 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 0x000001A85CE25C50, 16 bytes long.
 Data: <&#160;h&#226;\&#168;           > A0 68 E2 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A85CE268A0, 992 bytes long.
 Data: <P\&#226;\&#168;   &#160; &#226;\&#168;   > 50 5C E2 5C A8 01 00 00 A0 11 E2 5C A8 01 00 00 
{94} normal block at 0x000001A85CE20EA0, 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 0x000001A85CE1D510, 16 bytes long.
 Data: <`&#239;&#224;\&#168;           > 60 EF E0 5C A8 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001A85CE0EF60, 40 bytes long.
 Data: < &#213;&#225;\&#168;   &#160; &#226;\&#168;   > 10 D5 E1 5C A8 01 00 00 A0 0E E2 5C A8 01 00 00 
{71} normal block at 0x000001A85CE1D470, 16 bytes long.
 Data: < &#234;&#243;k&#247;           > 80 EA F3 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A85CE1DF60, 16 bytes long.
 Data: <@&#233;&#243;k&#247;           > 40 E9 F3 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A85CE1D740, 16 bytes long.
 Data: <&#248;W&#240;k&#247;           > F8 57 F0 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A85CE1D5B0, 16 bytes long.
 Data: <&#216;W&#240;k&#247;           > D8 57 F0 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A85CE1E0A0, 16 bytes long.
 Data: <P &#240;k&#247;           > 50 04 F0 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A85CE1DA10, 16 bytes long.
 Data: <0 &#240;k&#247;           > 30 04 F0 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A85CE1DE20, 16 bytes long.
 Data: <&#224; &#240;k&#247;           > E0 02 F0 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A85CE1D2E0, 16 bytes long.
 Data: <  &#240;k&#247;           > 10 04 F0 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A85CE1D1F0, 16 bytes long.
 Data: <p &#240;k&#247;           > 70 04 F0 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A85CE1D6A0, 16 bytes long.
 Data: < &#192;&#238;k&#247;           > 18 C0 EE 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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