Task 38600868

Name BACE_A18_A10_r0_4-QUICO_ATM_GAFF2_NAGL_BACE-3-6-RND8312_0
Workunit 31555522
Created 9 Apr 2026, 8:05:03 UTC
Sent 9 Apr 2026, 8:05:12 UTC
Report deadline 14 Apr 2026, 8:05:12 UTC
Received 9 Apr 2026, 10:15:26 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 4 min 32 sec
CPU time 1 hours 58 min 9 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 788.86 MB
Peak swap size 13.08 GB
Peak disk usage 3.00 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>
03:06:21 (109048): wrapper (7.9.26016): starting
03:06:21 (109048): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A10_0.pdb
QB_A18_A10_0.xml
QB_A18_A10.inpcrd
QB_A18_A10_input.yaml
QB_A18_A10.pdb
QB_A18_A10.prmtop
QB_A18_A10_sys.xml
run.bat
run.sh
03:06:22 (109048): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:06:22 (109048): 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.
05:10:01 (109048): C:/Windows/system32/cmd.exe exited; CPU time 7089.421875
05:10:01 (109048): app exit status: 0x16
05:10:01 (109048): 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: 156307315 bytes.
Dumping objects ->
{3835491} normal block at 0x000001646A8E50C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x000001646A8E5520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x000001646A8E5590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x000001646A8E53D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000001646A8E5440, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x000001646C64AF30, 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 0x000001646A8DE330, 8 bytes long.
 Data: <  &#206;jd   > 00 00 CE 6A 64 01 00 00 
{3833963} normal block at 0x000001646A8DD8E0, 8 bytes long.
 Data: <P[mld   > 50 5B 6D 6C 64 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001646A8D1140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001646A8D2210, 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 0x000001646A8E5D00, 16 bytes long.
 Data: <Ho&#142;jd           > 48 6F 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001646A8E6160, 16 bytes long.
 Data: < o&#142;jd           > 20 6F 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001646A8E03A0, 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 0x000001646A8E5CB0, 16 bytes long.
 Data: <&#248;n&#142;jd           > F8 6E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001646A8E6700, 16 bytes long.
 Data: <&#208;n&#142;jd           > D0 6E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001646A8E5C60, 16 bytes long.
 Data: <&#168;n&#142;jd           > A8 6E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001646A8E6980, 16 bytes long.
 Data: < n&#142;jd           > 80 6E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001646A8E5600, 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 0x000001646A8E6750, 16 bytes long.
 Data: <&#232;N&#142;jd           > E8 4E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001646A8E0640, 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 0x000001646A8E6930, 16 bytes long.
 Data: <&#192;N&#142;jd           > C0 4E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001646A8E6200, 16 bytes long.
 Data: < N&#142;jd           > 98 4E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001646A8E6340, 16 bytes long.
 Data: <pN&#142;jd           > 70 4E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001646A8E6BB0, 16 bytes long.
 Data: <HN&#142;jd           > 48 4E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001646A8E66B0, 16 bytes long.
 Data: < N&#142;jd           > 20 4E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001646A8E6B10, 16 bytes long.
 Data: <&#248;M&#142;jd           > F8 4D 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001646A8DFF80, 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 0x000001646A8E5FD0, 16 bytes long.
 Data: <&#208;M&#142;jd           > D0 4D 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001646A8E4DD0, 320 bytes long.
 Data: <&#208;_&#142;jd    &#255; jd   > D0 5F 8E 6A 64 01 00 00 80 FF 8D 6A 64 01 00 00 
{277} normal block at 0x000001646A8E6840, 16 bytes long.
 Data: <`n&#142;jd           > 60 6E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001646A8E5E90, 16 bytes long.
 Data: <8n&#142;jd           > 38 6E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001646A8E0340, 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 0x000001646A8E62A0, 16 bytes long.
 Data: < n&#142;jd           > 10 6E 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001646A8DFE00, 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 0x000001646A8E6480, 16 bytes long.
 Data: <Xm&#142;jd           > 58 6D 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001646A8E68E0, 16 bytes long.
 Data: <0m&#142;jd           > 30 6D 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001646A8E6390, 16 bytes long.
 Data: < m&#142;jd           > 08 6D 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001646A8E65C0, 16 bytes long.
 Data: <&#224;l&#142;jd           > E0 6C 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001646A8E64D0, 16 bytes long.
 Data: <&#184;l&#142;jd           > B8 6C 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001646A8E6B60, 16 bytes long.
 Data: < l&#142;jd           > 90 6C 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001646A8E6430, 16 bytes long.
 Data: <0Q&#142;jd           > 30 51 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001646A8E5130, 40 bytes long.
 Data: <0d&#142;jd   0&#175;dld   > 30 64 8E 6A 64 01 00 00 30 AF 64 6C 64 01 00 00 
{263} normal block at 0x000001646A8E60C0, 16 bytes long.
 Data: <pl&#142;jd           > 70 6C 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001646A8E6AC0, 16 bytes long.
 Data: <Hl&#142;jd           > 48 6C 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001646A8DFEC0, 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 0x000001646A8E62F0, 16 bytes long.
 Data: < l&#142;jd           > 20 6C 8E 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001646A8E6C20, 992 bytes long.
 Data: <&#240;b&#142;jd   &#192;&#254; jd   > F0 62 8E 6A 64 01 00 00 C0 FE 8D 6A 64 01 00 00 
{95} normal block at 0x000001646A8E0280, 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 0x000001646A8DE6A0, 16 bytes long.
 Data: < &#203;&#140;jd           > 80 CB 8C 6A 64 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001646A8CCB80, 40 bytes long.
 Data: <&#160;&#230; jd     &#142;jd   > A0 E6 8D 6A 64 01 00 00 80 02 8E 6A 64 01 00 00 
{72} normal block at 0x000001646A8DDB60, 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 0x000001646A8DDD90, 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 0x000001646A8DE4C0, 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 0x000001646A8DE290, 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 0x000001646A8DDD40, 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 0x000001646A8DE1F0, 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 0x000001646A8DD840, 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 0x000001646A8DE2E0, 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 0x000001646A8DE420, 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 0x000001646A8DE0B0, 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>
]]>


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