Task 38697610

Name test_886-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND8701_1
Workunit 31626340
Created 1 Nov 2026, 18:14:17 UTC
Sent 1 Nov 2026, 18:14:22 UTC
Report deadline 6 Nov 2026, 18:14:22 UTC
Received 1 Nov 2026, 18:38:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 21 min 37 sec
CPU time 16 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.94 MB
Peak swap size 7.00 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:17:21 (16624): wrapper (7.9.26016): starting
10:17:23 (16624): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
10:17:30 (16624): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:17:30 (16624): 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\19\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\19\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.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
10:38:05 (16624): C:/Windows/system32/cmd.exe exited; CPU time 980.421875
10:38:05 (16624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 12550247 bytes.
Dumping objects ->
{3835556} normal block at 0x000002038C2754B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x000002038C275360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x000002038C275210, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835523} normal block at 0x000002038C2751A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835512} normal block at 0x000002038C275130, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835481} normal block at 0x000002038DEFBB40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x000002038DF0E950, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835466} normal block at 0x000002038C26F220, 8 bytes long.
 Data: <  q&#140;    > 00 00 71 8C 03 02 00 00 
{3834685} normal block at 0x000002038DF0F190, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002038C26F5E0, 8 bytes long.
 Data: <@&#223;4&#140;    > 40 DF 34 8C 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002038C2712E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002038C2664B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002038C2762D0, 16 bytes long.
 Data: <&#248;l'&#140;            > F8 6C 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002038C276960, 16 bytes long.
 Data: <&#208;l'&#140;            > D0 6C 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002038C270050, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002038C276550, 16 bytes long.
 Data: <&#168;l'&#140;            > A8 6C 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002038C275AB0, 16 bytes long.
 Data: < l'&#140;            > 80 6C 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002038C276500, 16 bytes long.
 Data: <Xl'&#140;            > 58 6C 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002038C276870, 16 bytes long.
 Data: <0l'&#140;            > 30 6C 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002038C275670, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002038C276820, 16 bytes long.
 Data: < &#150;&&#140;            > 08 96 26 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002038C270530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002038C2767D0, 16 bytes long.
 Data: <&#224;&#149;&&#140;            > E0 95 26 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002038C276780, 16 bytes long.
 Data: <&#184;&#149;&&#140;            > B8 95 26 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002038C276460, 16 bytes long.
 Data: < &#149;&&#140;            > 90 95 26 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002038C276280, 16 bytes long.
 Data: <h&#149;&&#140;            > 68 95 26 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002038C275E20, 16 bytes long.
 Data: <@&#149;&&#140;            > 40 95 26 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002038C276730, 16 bytes long.
 Data: < &#149;&&#140;            > 18 95 26 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002038C26FE70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002038C276410, 16 bytes long.
 Data: <&#240;&#148;&&#140;            > F0 94 26 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002038C2694F0, 320 bytes long.
 Data: < d'&#140;    p&#254;&&#140;    > 10 64 27 8C 03 02 00 00 70 FE 26 8C 03 02 00 00 
{274} normal block at 0x000002038C2763C0, 16 bytes long.
 Data: < l'&#140;            > 10 6C 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002038C276230, 16 bytes long.
 Data: <&#232;k'&#140;            > E8 6B 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002038C270410, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002038C275F60, 16 bytes long.
 Data: <&#192;k'&#140;            > C0 6B 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002038C2703B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002038C275B00, 16 bytes long.
 Data: < k'&#140;            > 08 6B 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002038C275C40, 16 bytes long.
 Data: <&#224;j'&#140;            > E0 6A 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002038C2766E0, 16 bytes long.
 Data: <&#184;j'&#140;            > B8 6A 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002038C275EC0, 16 bytes long.
 Data: < j'&#140;            > 90 6A 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002038C276690, 16 bytes long.
 Data: <hj'&#140;            > 68 6A 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002038C276640, 16 bytes long.
 Data: <@j'&#140;            > 40 6A 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002038C275BF0, 16 bytes long.
 Data: <&#240;R'&#140;            > F0 52 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002038C2752F0, 40 bytes long.
 Data: <&#240;['&#140;    @&#187;&#239;     > F0 5B 27 8C 03 02 00 00 40 BB EF 8D 03 02 00 00 
{260} normal block at 0x000002038C2765F0, 16 bytes long.
 Data: < j'&#140;            > 20 6A 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002038C275DD0, 16 bytes long.
 Data: <&#248;i'&#140;            > F8 69 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002038C2700B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002038C275BA0, 16 bytes long.
 Data: <&#208;i'&#140;            > D0 69 27 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002038C2769D0, 992 bytes long.
 Data: <&#160;['&#140;    &#176; '&#140;    > A0 5B 27 8C 03 02 00 00 B0 00 27 8C 03 02 00 00 
{92} normal block at 0x000002038C2707D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002038C26F450, 16 bytes long.
 Data: < &#199;%&#140;            > 20 C7 25 8C 03 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002038C25C720, 40 bytes long.
 Data: <P&#244;&&#140;    &#208; '&#140;    > 50 F4 26 8C 03 02 00 00 D0 07 27 8C 03 02 00 00 
{69} normal block at 0x000002038C26F9F0, 16 bytes long.
 Data: < &#234;gQ&#246;           > 80 EA 67 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002038C26ED70, 16 bytes long.
 Data: <@&#233;gQ&#246;           > 40 E9 67 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002038C26F400, 16 bytes long.
 Data: <&#248;WdQ&#246;           > F8 57 64 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002038C26F040, 16 bytes long.
 Data: <&#216;WdQ&#246;           > D8 57 64 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002038C26F540, 16 bytes long.
 Data: <P dQ&#246;           > 50 04 64 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002038C26FBD0, 16 bytes long.
 Data: <0 dQ&#246;           > 30 04 64 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002038C26EFA0, 16 bytes long.
 Data: <&#224; dQ&#246;           > E0 02 64 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002038C26F7C0, 16 bytes long.
 Data: <  dQ&#246;           > 10 04 64 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002038C26ED20, 16 bytes long.
 Data: <p dQ&#246;           > 70 04 64 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002038C26F770, 16 bytes long.
 Data: < &#192;bQ&#246;           > 18 C0 62 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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