Task 38620141

Name hif2a_A20_A19_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-3-6-RND2657_0
Workunit 31571404
Created 19 Apr 2026, 5:51:51 UTC
Sent 19 Apr 2026, 5:51:53 UTC
Report deadline 24 Apr 2026, 5:51:53 UTC
Received 19 Apr 2026, 21:23:46 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 635464
Run time 1 hours 21 min 30 sec
CPU time 1 hours 17 min 9 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,155.00 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 462.09 MB
Peak swap size 12.52 GB
Peak disk usage 2.89 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:01:08 (7356): wrapper (7.9.26016): starting
16:01:08 (7356): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A19_0.pdb
QB_A20_A19_0.xml
QB_A20_A19.inpcrd
QB_A20_A19_input.yaml
QB_A20_A19.pdb
QB_A20_A19.prmtop
QB_A20_A19_sys.xml
run.bat
run.sh
16:01:09 (7356): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:01:09 (7356): 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\2\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\2\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.
17:22:05 (7356): C:/Windows/system32/cmd.exe exited; CPU time 4629.062500
17:22:05 (7356): app exit status: 0x16
17:22:05 (7356): 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: 73657317 bytes.
Dumping objects ->
{3835262} normal block at 0x000001F241D25F50, 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 0x000001F241D25EE0, 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 0x000001F241D263B0, 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 0x000001F241D26340, 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 0x000001F241D26030, 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 0x000001F2439E66B0, 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 0x000001F241D1E880, 8 bytes long.
 Data: <  &#206;A&#242;   > 00 00 CE 41 F2 01 00 00 
{3833963} normal block at 0x000001F241D1EC40, 8 bytes long.
 Data: <0J&#164;C&#242;   > 30 4A A4 43 F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F241D11580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F241D11DB0, 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 0x000001F241D26A70, 16 bytes long.
 Data: <&#248;x&#210;A&#242;           > F8 78 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F241D26AC0, 16 bytes long.
 Data: <&#208;x&#210;A&#242;           > D0 78 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F241D20B80, 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 0x000001F241D26A20, 16 bytes long.
 Data: <&#168;x&#210;A&#242;           > A8 78 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F241D269D0, 16 bytes long.
 Data: < x&#210;A&#242;           > 80 78 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F241D27560, 16 bytes long.
 Data: <Xx&#210;A&#242;           > 58 78 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F241D27510, 16 bytes long.
 Data: <0x&#210;A&#242;           > 30 78 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F241D26180, 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 0x000001F241D268E0, 16 bytes long.
 Data: <(&#244;&#208;A&#242;           > 28 F4 D0 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F241D20580, 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 0x000001F241D27330, 16 bytes long.
 Data: < &#244;&#208;A&#242;           > 00 F4 D0 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F241D27290, 16 bytes long.
 Data: <&#216;&#243;&#208;A&#242;           > D8 F3 D0 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F241D26660, 16 bytes long.
 Data: <&#176;&#243;&#208;A&#242;           > B0 F3 D0 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F241D274C0, 16 bytes long.
 Data: < &#243;&#208;A&#242;           > 88 F3 D0 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F241D27420, 16 bytes long.
 Data: <`&#243;&#208;A&#242;           > 60 F3 D0 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F241D271F0, 16 bytes long.
 Data: <8&#243;&#208;A&#242;           > 38 F3 D0 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F241D20FA0, 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 0x000001F241D26840, 16 bytes long.
 Data: < &#243;&#208;A&#242;           > 10 F3 D0 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F241D0F310, 320 bytes long.
 Data: <@h&#210;A&#242;   &#160; &#210;A&#242;   > 40 68 D2 41 F2 01 00 00 A0 0F D2 41 F2 01 00 00 
{277} normal block at 0x000001F241D26D40, 16 bytes long.
 Data: < x&#210;A&#242;           > 10 78 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F241D26890, 16 bytes long.
 Data: <&#232;w&#210;A&#242;           > E8 77 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F241D20940, 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 0x000001F241D26E30, 16 bytes long.
 Data: <&#192;w&#210;A&#242;           > C0 77 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F241D20F40, 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 0x000001F241D26D90, 16 bytes long.
 Data: < w&#210;A&#242;           > 08 77 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F241D27150, 16 bytes long.
 Data: <&#224;v&#210;A&#242;           > E0 76 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F241D27100, 16 bytes long.
 Data: <&#184;v&#210;A&#242;           > B8 76 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F241D267F0, 16 bytes long.
 Data: < v&#210;A&#242;           > 90 76 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F241D26750, 16 bytes long.
 Data: <hv&#210;A&#242;           > 68 76 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F241D271A0, 16 bytes long.
 Data: <@v&#210;A&#242;           > 40 76 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F241D26C00, 16 bytes long.
 Data: <&#192;_&#210;A&#242;           > C0 5F D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F241D25FC0, 40 bytes long.
 Data: < l&#210;A&#242;   &#176;f&#158;C&#242;   > 00 6C D2 41 F2 01 00 00 B0 66 9E 43 F2 01 00 00 
{263} normal block at 0x000001F241D26700, 16 bytes long.
 Data: < v&#210;A&#242;           > 20 76 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F241D27470, 16 bytes long.
 Data: <&#248;u&#210;A&#242;           > F8 75 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F241D20880, 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 0x000001F241D267A0, 16 bytes long.
 Data: <&#208;u&#210;A&#242;           > D0 75 D2 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F241D275D0, 992 bytes long.
 Data: <&#160;g&#210;A&#242;     &#210;A&#242;   > A0 67 D2 41 F2 01 00 00 80 08 D2 41 F2 01 00 00 
{95} normal block at 0x000001F241D20700, 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 0x000001F241D1E1F0, 16 bytes long.
 Data: <`&#229;&#208;A&#242;           > 60 E5 D0 41 F2 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001F241D0E560, 40 bytes long.
 Data: <&#240;&#225;&#209;A&#242;     &#210;A&#242;   > F0 E1 D1 41 F2 01 00 00 00 07 D2 41 F2 01 00 00 
{72} normal block at 0x000001F241D1EB50, 16 bytes long.
 Data: < &#234;&#255;g&#247;           > 80 EA FF 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F241D1E650, 16 bytes long.
 Data: <@&#233;&#255;g&#247;           > 40 E9 FF 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F241D1EDD0, 16 bytes long.
 Data: <&#248;W&#252;g&#247;           > F8 57 FC 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F241D1E510, 16 bytes long.
 Data: <&#216;W&#252;g&#247;           > D8 57 FC 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F241D1EFB0, 16 bytes long.
 Data: <P &#252;g&#247;           > 50 04 FC 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F241D1EEC0, 16 bytes long.
 Data: <0 &#252;g&#247;           > 30 04 FC 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F241D1E470, 16 bytes long.
 Data: <&#224; &#252;g&#247;           > E0 02 FC 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F241D1E7E0, 16 bytes long.
 Data: <  &#252;g&#247;           > 10 04 FC 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F241D1EF10, 16 bytes long.
 Data: <p &#252;g&#247;           > 70 04 FC 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F241D1E560, 16 bytes long.
 Data: < &#192;&#250;g&#247;           > 18 C0 FA 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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