Task 38685283

Name test_216-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6307_0
Workunit 31626758
Created 27 Oct 2026, 20:19:20 UTC
Sent 27 Oct 2026, 20:19:21 UTC
Report deadline 1 Nov 2026, 20:19:21 UTC
Received 27 Oct 2026, 23:04:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609517
Run time 36 min 12 sec
CPU time 36 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.32 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:22:38 (44140): wrapper (7.9.26016): starting
23:22:38 (44140): 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
23:22:40 (44140): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:22:40 (44140): 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\7\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\7\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
00:03:29 (44140): C:/Windows/system32/cmd.exe exited; CPU time 2172.578125
00:03:29 (44140): 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: 44420119 bytes.
Dumping objects ->
{3835277} normal block at 0x0000023E823BC0B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000023E823BBE10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x0000023E823BC4A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x0000023E823BC040, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000023E823947E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x0000023E840F4880, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000023E8410E2E0, 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) : {3835188} normal block at 0x0000023E8238E730, 8 bytes long.
 Data: <   &#130;>   > 00 00 90 82 3E 02 00 00 
{3834564} normal block at 0x0000023E8410EF40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000023E8238E780, 8 bytes long.
 Data: < &#234;&#252;&#131;>   > 90 EA FC 83 3E 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023E82390980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023E82386490, 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 0x0000023E82395DC0, 16 bytes long.
 Data: < e9&#130;>           > 18 65 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023E82395BE0, 16 bytes long.
 Data: <&#240;d9&#130;>           > F0 64 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023E8238FC30, 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 0x0000023E82395AF0, 16 bytes long.
 Data: <&#200;d9&#130;>           > C8 64 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023E82395B90, 16 bytes long.
 Data: <&#160;d9&#130;>           > A0 64 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023E82395F00, 16 bytes long.
 Data: <xd9&#130;>           > 78 64 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023E82395EB0, 16 bytes long.
 Data: <Pd9&#130;>           > 50 64 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023E82394A80, 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 0x0000023E82395370, 16 bytes long.
 Data: < &#239;7&#130;>           > 08 EF 37 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023E8238F9F0, 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 0x0000023E82395FF0, 16 bytes long.
 Data: <&#224;&#238;7&#130;>           > E0 EE 37 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023E823955A0, 16 bytes long.
 Data: <&#184;&#238;7&#130;>           > B8 EE 37 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023E82395D70, 16 bytes long.
 Data: < &#238;7&#130;>           > 90 EE 37 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023E82395A50, 16 bytes long.
 Data: <h&#238;7&#130;>           > 68 EE 37 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023E82395280, 16 bytes long.
 Data: <@&#238;7&#130;>           > 40 EE 37 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023E82396180, 16 bytes long.
 Data: < &#238;7&#130;>           > 18 EE 37 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023E823904D0, 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 0x0000023E82395320, 16 bytes long.
 Data: <&#240;&#237;7&#130;>           > F0 ED 37 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023E8237EDF0, 320 bytes long.
 Data: < S9&#130;>   &#208; 9&#130;>   > 20 53 39 82 3E 02 00 00 D0 04 39 82 3E 02 00 00 
{275} normal block at 0x0000023E82395550, 16 bytes long.
 Data: <0d9&#130;>           > 30 64 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023E823956E0, 16 bytes long.
 Data: < d9&#130;>           > 08 64 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023E8238FF90, 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 0x0000023E82395230, 16 bytes long.
 Data: <&#224;c9&#130;>           > E0 63 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023E8238FB10, 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 0x0000023E823955F0, 16 bytes long.
 Data: <(c9&#130;>           > 28 63 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023E82395CD0, 16 bytes long.
 Data: < c9&#130;>           > 00 63 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023E823952D0, 16 bytes long.
 Data: <&#216;b9&#130;>           > D8 62 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023E82395820, 16 bytes long.
 Data: <&#176;b9&#130;>           > B0 62 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023E82395FA0, 16 bytes long.
 Data: < b9&#130;>           > 88 62 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023E82395410, 16 bytes long.
 Data: <`b9&#130;>           > 60 62 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023E82395F50, 16 bytes long.
 Data: <&#240;J9&#130;>           > F0 4A 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023E82394AF0, 40 bytes long.
 Data: <P_9&#130;>    H &#132;>   > 50 5F 39 82 3E 02 00 00 80 48 0F 84 3E 02 00 00 
{261} normal block at 0x0000023E82395B40, 16 bytes long.
 Data: <@b9&#130;>           > 40 62 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023E82395C30, 16 bytes long.
 Data: < b9&#130;>           > 18 62 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023E8238F8D0, 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 0x0000023E82395D20, 16 bytes long.
 Data: <&#240;a9&#130;>           > F0 61 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023E823961F0, 992 bytes long.
 Data: < ]9&#130;>   &#208;&#248;8&#130;>   > 20 5D 39 82 3E 02 00 00 D0 F8 38 82 3E 02 00 00 
{93} normal block at 0x0000023E8238F870, 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 0x0000023E8238E8C0, 16 bytes long.
 Data: < F9&#130;>           > 20 46 39 82 3E 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000023E82394620, 40 bytes long.
 Data: <&#192;&#232;8&#130;>   p&#248;8&#130;>   > C0 E8 38 82 3E 02 00 00 70 F8 38 82 3E 02 00 00 
{70} normal block at 0x0000023E8238F4A0, 16 bytes long.
 Data: < &#234;k&#158;&#246;           > 80 EA 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023E8238F130, 16 bytes long.
 Data: <@&#233;k&#158;&#246;           > 40 E9 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023E8238F590, 16 bytes long.
 Data: <&#248;Wh&#158;&#246;           > F8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023E8238E7D0, 16 bytes long.
 Data: <&#216;Wh&#158;&#246;           > D8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023E8238E960, 16 bytes long.
 Data: <P h&#158;&#246;           > 50 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023E8238ECD0, 16 bytes long.
 Data: <0 h&#158;&#246;           > 30 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023E8238EC80, 16 bytes long.
 Data: <&#224; h&#158;&#246;           > E0 02 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023E8238EB90, 16 bytes long.
 Data: <  h&#158;&#246;           > 10 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023E8238EB40, 16 bytes long.
 Data: <p h&#158;&#246;           > 70 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023E8238F5E0, 16 bytes long.
 Data: < &#192;f&#158;&#246;           > 18 C0 66 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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