Task 38674490

Name test_265-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8375_0
Workunit 31616522
Created 26 Oct 2026, 5:27:34 UTC
Sent 26 Oct 2026, 5:27:43 UTC
Report deadline 31 Oct 2026, 5:27:43 UTC
Received 26 Oct 2026, 8:27:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 44 min 44 sec
CPU time 41 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.29 MB
Peak swap size 12.91 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:44:07 (33900): wrapper (7.9.26016): starting
08:44:07 (33900): 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
08:44:09 (33900): Library/usr/bin/tar.exe exited; CPU time 0.031250
08:44:09 (33900): 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.
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
09:26:32 (33900): C:/Windows/system32/cmd.exe exited; CPU time 2518.312500
09:26:32 (33900): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 65581789 bytes.
Dumping objects ->
{3835258} normal block at 0x00000238E7950A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x00000238E7950D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000238E7950DF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x00000238E7950CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x00000238E7950990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x00000238E79FAFF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000238E79EFDA0, 141 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) : {3835169} normal block at 0x00000238E5CA5AD0, 8 bytes long.
 Data: <  |&#231;8   > 00 00 7C E7 38 02 00 00 
{3834553} normal block at 0x00000238E79F0280, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000238E5CA5CB0, 8 bytes long.
 Data: <@ &#207;&#229;8   > 40 98 CF E5 38 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000238E5CB11B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000238E5C96210, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000238E5CB22E0, 16 bytes long.
 Data: <&#216;4&#203;&#229;8           > D8 34 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000238E5CB2D80, 16 bytes long.
 Data: <&#176;4&#203;&#229;8           > B0 34 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000238E5CAC020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000238E5CB2970, 16 bytes long.
 Data: < 4&#203;&#229;8           > 88 34 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000238E5CB2D30, 16 bytes long.
 Data: <`4&#203;&#229;8           > 60 34 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000238E5CB2470, 16 bytes long.
 Data: <84&#203;&#229;8           > 38 34 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000238E5CB2290, 16 bytes long.
 Data: < 4&#203;&#229;8           > 10 34 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000238E5CAA2A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000238E5CB2CE0, 16 bytes long.
 Data: < &#178;&#201;&#229;8           > 88 B2 C9 E5 38 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000238E5CAC620, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000238E5CB25B0, 16 bytes long.
 Data: <`&#178;&#201;&#229;8           > 60 B2 C9 E5 38 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000238E5CB2C90, 16 bytes long.
 Data: <8&#178;&#201;&#229;8           > 38 B2 C9 E5 38 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000238E5CB2830, 16 bytes long.
 Data: < &#178;&#201;&#229;8           > 10 B2 C9 E5 38 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000238E5CB3050, 16 bytes long.
 Data: <&#232;&#177;&#201;&#229;8           > E8 B1 C9 E5 38 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000238E5CB2790, 16 bytes long.
 Data: <&#192;&#177;&#201;&#229;8           > C0 B1 C9 E5 38 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000238E5CB26A0, 16 bytes long.
 Data: < &#177;&#201;&#229;8           > 98 B1 C9 E5 38 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000238E5CAC1A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000238E5CB2740, 16 bytes long.
 Data: <p&#177;&#201;&#229;8           > 70 B1 C9 E5 38 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000238E5C9B170, 320 bytes long.
 Data: <@'&#203;&#229;8   &#160;&#193;&#202;&#229;8   > 40 27 CB E5 38 02 00 00 A0 C1 CA E5 38 02 00 00 
{269} normal block at 0x00000238E5CB27E0, 16 bytes long.
 Data: <&#240;3&#203;&#229;8           > F0 33 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000238E5CB2920, 16 bytes long.
 Data: <&#200;3&#203;&#229;8           > C8 33 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000238E5CAC6E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000238E5CB2C40, 16 bytes long.
 Data: <&#160;3&#203;&#229;8           > A0 33 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000238E5CAC5C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000238E5CB2F10, 16 bytes long.
 Data: <&#232;2&#203;&#229;8           > E8 32 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000238E5CB23D0, 16 bytes long.
 Data: <&#192;2&#203;&#229;8           > C0 32 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000238E5CB2AB0, 16 bytes long.
 Data: < 2&#203;&#229;8           > 98 32 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000238E5CB26F0, 16 bytes long.
 Data: <p2&#203;&#229;8           > 70 32 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000238E5CB28D0, 16 bytes long.
 Data: <H2&#203;&#229;8           > 48 32 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000238E5CB2BF0, 16 bytes long.
 Data: < 2&#203;&#229;8           > 20 32 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000238E5CB29C0, 16 bytes long.
 Data: <&#192;&#168;&#202;&#229;8           > C0 A8 CA E5 38 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000238E5CAA8C0, 40 bytes long.
 Data: <&#192;)&#203;&#229;8   &#240;&#175;&#159;&#231;8   > C0 29 CB E5 38 02 00 00 F0 AF 9F E7 38 02 00 00 
{255} normal block at 0x00000238E5CB2A60, 16 bytes long.
 Data: < 2&#203;&#229;8           > 00 32 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000238E5CB3000, 16 bytes long.
 Data: <&#216;1&#203;&#229;8           > D8 31 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000238E5CABCC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000238E5CB2B50, 16 bytes long.
 Data: <&#176;1&#203;&#229;8           > B0 31 CB E5 38 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000238E5CB31B0, 992 bytes long.
 Data: <P+&#203;&#229;8   &#192;&#188;&#202;&#229;8   > 50 2B CB E5 38 02 00 00 C0 BC CA E5 38 02 00 00 
{87} normal block at 0x00000238E5CAC440, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000238E5CA60C0, 16 bytes long.
 Data: < &#166;&#202;&#229;8           > 90 A6 CA E5 38 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000238E5CAA690, 40 bytes long.
 Data: <&#192;`&#202;&#229;8   @&#196;&#202;&#229;8   > C0 60 CA E5 38 02 00 00 40 C4 CA E5 38 02 00 00 
{64} normal block at 0x00000238E5CA5620, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000238E5CA61B0, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000238E5CA5A80, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000238E5CA6070, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000238E5CA55D0, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000238E5CA5A30, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000238E5CA5760, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000238E5CA59E0, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000238E5CA6480, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000238E5CA6020, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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