Task 38599242

Name BACE_A32_A03_r0_1-QUICO_ATM_GAFF2_NAGL_BACE-2-6-RND0407_0
Workunit 31554195
Created 8 Apr 2026, 16:10:01 UTC
Sent 8 Apr 2026, 16:10:06 UTC
Report deadline 13 Apr 2026, 16:10:06 UTC
Received 8 Apr 2026, 22:58:08 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643627
Run time 2 hours 27 min 52 sec
CPU time 2 hours 21 min 47 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 83,076.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.81 MB
Peak swap size 13.09 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run z��.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:25:19 (107100): wrapper (7.9.26016): starting
15:25:19 (107100): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A03_0.pdb
QB_A32_A03_0.xml
QB_A32_A03.inpcrd
QB_A32_A03_input.yaml
QB_A32_A03.pdb
QB_A32_A03.prmtop
QB_A32_A03_sys.xml
run.bat
run.sh
15:25:20 (107100): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:25:20 (107100): 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\24\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\24\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.
17:52:17 (107100): C:/Windows/system32/cmd.exe exited; CPU time 8507.921875
17:52:17 (107100): app exit status: 0x16
17:52:17 (107100): 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: 186080607 bytes.
Dumping objects ->
{3835492} normal block at 0x00000251AD415050, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000251AD4154B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x00000251AD415360, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835459} normal block at 0x00000251AD415130, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835448} normal block at 0x00000251AD4152F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835417} normal block at 0x00000251AF30C1F0, 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) : {3835403} normal block at 0x00000251AD40E330, 8 bytes long.
 Data: <   &#173;Q   > 00 00 90 AD 51 02 00 00 
{3833963} normal block at 0x00000251AD40DC00, 8 bytes long.
 Data: < &#220;?&#173;Q   > 10 DC 3F AD 51 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000251AD401500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000251AD401E20, 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 0x00000251AD4161B0, 16 bytes long.
 Data: <HoA&#173;Q           > 48 6F 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000251AD4163E0, 16 bytes long.
 Data: < oA&#173;Q           > 20 6F 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000251AD410400, 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 0x00000251AD416070, 16 bytes long.
 Data: <&#248;nA&#173;Q           > F8 6E 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000251AD416020, 16 bytes long.
 Data: <&#208;nA&#173;Q           > D0 6E 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000251AD4164D0, 16 bytes long.
 Data: <&#168;nA&#173;Q           > A8 6E 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000251AD416A70, 16 bytes long.
 Data: < nA&#173;Q           > 80 6E 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000251AD415590, 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 0x00000251AD4165C0, 16 bytes long.
 Data: <h&#247;?&#173;Q           > 68 F7 3F AD 51 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000251AD40FC20, 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 0x00000251AD415FD0, 16 bytes long.
 Data: <@&#247;?&#173;Q           > 40 F7 3F AD 51 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000251AD415CB0, 16 bytes long.
 Data: < &#247;?&#173;Q           > 18 F7 3F AD 51 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000251AD4162F0, 16 bytes long.
 Data: <&#240;&#246;?&#173;Q           > F0 F6 3F AD 51 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000251AD416AC0, 16 bytes long.
 Data: <&#200;&#246;?&#173;Q           > C8 F6 3F AD 51 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000251AD416340, 16 bytes long.
 Data: <&#160;&#246;?&#173;Q           > A0 F6 3F AD 51 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000251AD415F80, 16 bytes long.
 Data: <x&#246;?&#173;Q           > 78 F6 3F AD 51 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000251AD410220, 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 0x00000251AD415C60, 16 bytes long.
 Data: <P&#246;?&#173;Q           > 50 F6 3F AD 51 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000251AD3FF650, 320 bytes long.
 Data: <`\A&#173;Q     A&#173;Q   > 60 5C 41 AD 51 02 00 00 20 02 41 AD 51 02 00 00 
{277} normal block at 0x00000251AD416250, 16 bytes long.
 Data: <`nA&#173;Q           > 60 6E 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000251AD416160, 16 bytes long.
 Data: <8nA&#173;Q           > 38 6E 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000251AD40FBC0, 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 0x00000251AD4169D0, 16 bytes long.
 Data: < nA&#173;Q           > 10 6E 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000251AD410460, 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 0x00000251AD415F30, 16 bytes long.
 Data: <XmA&#173;Q           > 58 6D 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000251AD416890, 16 bytes long.
 Data: <0mA&#173;Q           > 30 6D 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000251AD415E90, 16 bytes long.
 Data: < mA&#173;Q           > 08 6D 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000251AD4162A0, 16 bytes long.
 Data: <&#224;lA&#173;Q           > E0 6C 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000251AD4167A0, 16 bytes long.
 Data: <&#184;lA&#173;Q           > B8 6C 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000251AD416110, 16 bytes long.
 Data: < lA&#173;Q           > 90 6C 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000251AD416390, 16 bytes long.
 Data: <@TA&#173;Q           > 40 54 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000251AD415440, 40 bytes long.
 Data: < cA&#173;Q   &#240;&#193;0&#175;Q   > 90 63 41 AD 51 02 00 00 F0 C1 30 AF 51 02 00 00 
{263} normal block at 0x00000251AD4160C0, 16 bytes long.
 Data: <plA&#173;Q           > 70 6C 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000251AD416A20, 16 bytes long.
 Data: <HlA&#173;Q           > 48 6C 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000251AD4105E0, 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 0x00000251AD416750, 16 bytes long.
 Data: < lA&#173;Q           > 20 6C 41 AD 51 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000251AD416C20, 992 bytes long.
 Data: <PgA&#173;Q   &#224; A&#173;Q   > 50 67 41 AD 51 02 00 00 E0 05 41 AD 51 02 00 00 
{95} normal block at 0x00000251AD4104C0, 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 0x00000251AD40E100, 16 bytes long.
 Data: < &#234;?&#173;Q           > 00 EA 3F AD 51 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000251AD3FEA00, 40 bytes long.
 Data: < &#225;@&#173;Q   &#192; A&#173;Q   > 00 E1 40 AD 51 02 00 00 C0 04 41 AD 51 02 00 00 
{72} normal block at 0x00000251AD40E650, 16 bytes long.
 Data: < &#234;Sn&#246;           > 80 EA 53 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000251AD40E600, 16 bytes long.
 Data: <@&#233;Sn&#246;           > 40 E9 53 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000251AD40D7A0, 16 bytes long.
 Data: <&#248;WPn&#246;           > F8 57 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000251AD40E290, 16 bytes long.
 Data: <&#216;WPn&#246;           > D8 57 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000251AD40E560, 16 bytes long.
 Data: <P Pn&#246;           > 50 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000251AD40D930, 16 bytes long.
 Data: <0 Pn&#246;           > 30 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000251AD40DDE0, 16 bytes long.
 Data: <&#224; Pn&#246;           > E0 02 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000251AD40DFC0, 16 bytes long.
 Data: <  Pn&#246;           > 10 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000251AD40D750, 16 bytes long.
 Data: <p Pn&#246;           > 70 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000251AD40D9D0, 16 bytes long.
 Data: < &#192;Nn&#246;           > 18 C0 4E 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra