Task 38622405

Name hif2a_2_A02_A17_r0_2-QUICO_ATM_OpenFF_NAGL_hif2a_2-4-6-RND0945_0
Workunit 31573172
Created 20 Apr 2026, 17:40:51 UTC
Sent 20 Apr 2026, 17:40:56 UTC
Report deadline 25 Apr 2026, 17:40:56 UTC
Received 20 Apr 2026, 18:19:50 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 651945
Run time
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 16,350.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:42:13 (12480): wrapper (7.9.26016): starting
13:42:13 (12480): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A17_0.pdb
QB_A02_A17_0.xml
QB_A02_A17.inpcrd
QB_A02_A17_input.yaml
QB_A02_A17.pdb
QB_A02_A17.prmtop
QB_A02_A17_sys.xml
run.bat
run.sh
13:42:14 (12480): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:42:14 (12480): 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\5\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\5\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.
14:16:04 (12480): C:/Windows/system32/cmd.exe exited; CPU time 1772.062500
14:16:04 (12480): app exit status: 0x40010004
14:16:04 (12480): 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: 32241161 bytes.
Dumping objects ->
{3835262} normal block at 0x000002690551C3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000002690551C7A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000002690551C6C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x0000026903794EC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000026903794E50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x00000269055689F0, 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) : {3835174} normal block at 0x000002690378DB20, 8 bytes long.
 Data: <  &#211; i   > 00 00 D3 03 69 02 00 00 
{3833959} normal block at 0x000002690378DA80, 8 bytes long.
 Data: <0&#215;w i   > 30 D7 77 03 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000026903780B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026903781CA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000026903795550, 16 bytes long.
 Data: < gy i           > 98 67 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000269037962C0, 16 bytes long.
 Data: <pgy i           > 70 67 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026903790A40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000026903795820, 16 bytes long.
 Data: <Hgy i           > 48 67 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026903795500, 16 bytes long.
 Data: < gy i           > 20 67 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026903795CD0, 16 bytes long.
 Data: <&#248;fy i           > F8 66 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000269037954B0, 16 bytes long.
 Data: <&#208;fy i           > D0 66 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000269037948A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000026903795C80, 16 bytes long.
 Data: <h x i           > 68 07 78 03 69 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026903790FE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000026903796270, 16 bytes long.
 Data: <@ x i           > 40 07 78 03 69 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026903795F50, 16 bytes long.
 Data: <  x i           > 18 07 78 03 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026903795C30, 16 bytes long.
 Data: <&#240; x i           > F0 06 78 03 69 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000269037961D0, 16 bytes long.
 Data: <&#200; x i           > C8 06 78 03 69 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026903795BE0, 16 bytes long.
 Data: <&#160; x i           > A0 06 78 03 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026903796400, 16 bytes long.
 Data: <x x i           > 78 06 78 03 69 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026903790EC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000026903795EB0, 16 bytes long.
 Data: <P x i           > 50 06 78 03 69 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026903780650, 320 bytes long.
 Data: <&#176;^y i   &#192; y i   > B0 5E 79 03 69 02 00 00 C0 0E 79 03 69 02 00 00 
{275} normal block at 0x00000269037960E0, 16 bytes long.
 Data: <&#176;fy i           > B0 66 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026903795AA0, 16 bytes long.
 Data: < fy i           > 88 66 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000269037915E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000026903796180, 16 bytes long.
 Data: <`fy i           > 60 66 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026903790E00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000026903796040, 16 bytes long.
 Data: <&#168;ey i           > A8 65 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026903796090, 16 bytes long.
 Data: < ey i           > 80 65 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026903795E10, 16 bytes long.
 Data: <Xey i           > 58 65 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026903795DC0, 16 bytes long.
 Data: <0ey i           > 30 65 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026903795B90, 16 bytes long.
 Data: < ey i           > 08 65 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026903795F00, 16 bytes long.
 Data: <&#224;dy i           > E0 64 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026903796130, 16 bytes long.
 Data: <&#160;Oy i           > A0 4F 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026903794FA0, 40 bytes long.
 Data: <0ay i   &#240;&#137;V i   > 30 61 79 03 69 02 00 00 F0 89 56 05 69 02 00 00 
{261} normal block at 0x0000026903795B40, 16 bytes long.
 Data: <&#192;dy i           > C0 64 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026903795780, 16 bytes long.
 Data: < dy i           > 98 64 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026903791400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000026903796310, 16 bytes long.
 Data: <pdy i           > 70 64 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026903796470, 992 bytes long.
 Data: < cy i     y i   > 10 63 79 03 69 02 00 00 00 14 79 03 69 02 00 00 
{93} normal block at 0x00000269037909E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002690378D7B0, 16 bytes long.
 Data: <0Oy i           > 30 4F 79 03 69 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000026903794F30, 40 bytes long.
 Data: <&#176;&#215;x i   &#224;	y i   > B0 D7 78 03 69 02 00 00 E0 09 79 03 69 02 00 00 
{70} normal block at 0x000002690378DDF0, 16 bytes long.
 Data: < &#234;&#147;&#244;&#247;           > 80 EA 93 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002690378DE40, 16 bytes long.
 Data: <@&#233;&#147;&#244;&#247;           > 40 E9 93 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002690378D4E0, 16 bytes long.
 Data: <&#248;W &#244;&#247;           > F8 57 90 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002690378DDA0, 16 bytes long.
 Data: <&#216;W &#244;&#247;           > D8 57 90 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002690378DD50, 16 bytes long.
 Data: <P  &#244;&#247;           > 50 04 90 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002690378DA30, 16 bytes long.
 Data: <0  &#244;&#247;           > 30 04 90 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002690378D530, 16 bytes long.
 Data: <&#224;  &#244;&#247;           > E0 02 90 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002690378DD00, 16 bytes long.
 Data: <   &#244;&#247;           > 10 04 90 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002690378DC60, 16 bytes long.
 Data: <p  &#244;&#247;           > 70 04 90 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002690378D120, 16 bytes long.
 Data: < &#192;&#142;&#244;&#247;           > 18 C0 8E F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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