Task 38616370

Name hif2a_2_A02_A24_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-1-6-RND4199_0
Workunit 31568293
Created 17 Apr 2026, 20:06:46 UTC
Sent 17 Apr 2026, 20:06:52 UTC
Report deadline 22 Apr 2026, 20:06:52 UTC
Received 17 Apr 2026, 20:11:02 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 645990
Run time 1 min 44 sec
CPU time 7 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 9,075.01 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 130.45 MB
Peak swap size 4.46 GB
Peak disk usage 2.05 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
13:08:32 (18716): wrapper (7.9.26016): starting
13:08:32 (18716): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A24_0.pdb
QB_A02_A24_0.xml
QB_A02_A24.inpcrd
QB_A02_A24_input.yaml
QB_A02_A24.pdb
QB_A02_A24.prmtop
QB_A02_A24_sys.xml
run.bat
run.sh
13:08:33 (18716): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:08:33 (18716): 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.
13:08:59 (18716): C:/Windows/system32/cmd.exe exited; CPU time 7.187500
13:08:59 (18716): app exit status: 0x16
13:08:59 (18716): 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: 471383 bytes.
Dumping objects ->
{3835251} normal block at 0x000001C90F301410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001C90F301480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001C90F300A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001C90F301090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001C90F300920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001C90F3AB2D0, 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) : {3835163} normal block at 0x000001C90D8960D0, 8 bytes long.
 Data: <    &#201;   > 00 00 1A 0F C9 01 00 00 
{3833949} normal block at 0x000001C90D8959F0, 8 bytes long.
 Data: <&#160;J0 &#201;   > A0 4A 30 0F C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C90D89F920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C90D8A09A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001C90D8A1860, 16 bytes long.
 Data: < 1&#138; &#201;           > 98 31 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C90D8A1590, 16 bytes long.
 Data: <p1&#138; &#201;           > 70 31 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C90D89C810, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001C90D8A0DC0, 16 bytes long.
 Data: <H1&#138; &#201;           > 48 31 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C90D8A1270, 16 bytes long.
 Data: < 1&#138; &#201;           > 20 31 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C90D8A1450, 16 bytes long.
 Data: <&#248;0&#138; &#201;           > F8 30 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C90D8A1720, 16 bytes long.
 Data: <&#208;0&#138; &#201;           > D0 30 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C90D89A920, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001C90D8A16D0, 16 bytes long.
 Data: <8	&#138; &#201;           > 38 09 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C90D89C390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001C90D8A19A0, 16 bytes long.
 Data: < 	&#138; &#201;           > 10 09 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C90D8A0E60, 16 bytes long.
 Data: <&#232; &#138; &#201;           > E8 08 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C90D8A1220, 16 bytes long.
 Data: <&#192; &#138; &#201;           > C0 08 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C90D8A1180, 16 bytes long.
 Data: <  &#138; &#201;           > 98 08 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C90D8A1540, 16 bytes long.
 Data: <p &#138; &#201;           > 70 08 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C90D8A1810, 16 bytes long.
 Data: <H &#138; &#201;           > 48 08 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C90D89C690, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001C90D8A14A0, 16 bytes long.
 Data: <  &#138; &#201;           > 20 08 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C90D8A0820, 320 bytes long.
 Data: <&#160; &#138; &#201;    &#198;&#137; &#201;   > A0 14 8A 0D C9 01 00 00 90 C6 89 0D C9 01 00 00 
{270} normal block at 0x000001C90D8A12C0, 16 bytes long.
 Data: <&#176;0&#138; &#201;           > B0 30 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C90D8A1360, 16 bytes long.
 Data: < 0&#138; &#201;           > 88 30 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C90D89BDF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001C90D8A1400, 16 bytes long.
 Data: <`0&#138; &#201;           > 60 30 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C90D89C2D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001C90D8A15E0, 16 bytes long.
 Data: <&#168;/&#138; &#201;           > A8 2F 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C90D8A10E0, 16 bytes long.
 Data: < /&#138; &#201;           > 80 2F 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C90D8A11D0, 16 bytes long.
 Data: <X/&#138; &#201;           > 58 2F 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C90D8A1090, 16 bytes long.
 Data: <0/&#138; &#201;           > 30 2F 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C90D8A14F0, 16 bytes long.
 Data: < /&#138; &#201;           > 08 2F 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C90D8A0F00, 16 bytes long.
 Data: <&#224;.&#138; &#201;           > E0 2E 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C90D8A0F50, 16 bytes long.
 Data: <&#224;&#163;&#137; &#201;           > E0 A3 89 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C90D89A3E0, 40 bytes long.
 Data: <P &#138; &#201;   &#208;&#178;: &#201;   > 50 0F 8A 0D C9 01 00 00 D0 B2 3A 0F C9 01 00 00 
{256} normal block at 0x000001C90D8A13B0, 16 bytes long.
 Data: <&#192;.&#138; &#201;           > C0 2E 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C90D8A1310, 16 bytes long.
 Data: < .&#138; &#201;           > 98 2E 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C90D89C5D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001C90D8A1630, 16 bytes long.
 Data: <p.&#138; &#201;           > 70 2E 8A 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C90D8A2E70, 992 bytes long.
 Data: <0 &#138; &#201;   &#208;&#197;&#137; &#201;   > 30 16 8A 0D C9 01 00 00 D0 C5 89 0D C9 01 00 00 
{88} normal block at 0x000001C90D89C1B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001C90D8962B0, 16 bytes long.
 Data: <@&#168;&#137; &#201;           > 40 A8 89 0D C9 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001C90D89A840, 40 bytes long.
 Data: <&#176;b&#137; &#201;   &#176;&#193;&#137; &#201;   > B0 62 89 0D C9 01 00 00 B0 C1 89 0D C9 01 00 00 
{65} normal block at 0x000001C90D895F40, 16 bytes long.
 Data: < &#234; &#155;&#246;           > 80 EA 81 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C90D895D10, 16 bytes long.
 Data: <@&#233; &#155;&#246;           > 40 E9 81 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C90D895950, 16 bytes long.
 Data: <&#248;W~&#155;&#246;           > F8 57 7E 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C90D895A90, 16 bytes long.
 Data: <&#216;W~&#155;&#246;           > D8 57 7E 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C90D895900, 16 bytes long.
 Data: <P ~&#155;&#246;           > 50 04 7E 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C90D896080, 16 bytes long.
 Data: <0 ~&#155;&#246;           > 30 04 7E 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C90D895810, 16 bytes long.
 Data: <&#224; ~&#155;&#246;           > E0 02 7E 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C90D8958B0, 16 bytes long.
 Data: <  ~&#155;&#246;           > 10 04 7E 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C90D895A40, 16 bytes long.
 Data: <p ~&#155;&#246;           > 70 04 7E 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C90D895F90, 16 bytes long.
 Data: < &#192;|&#155;&#246;           > 18 C0 7C 9B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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