Task 38678856

Name test_98-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND2255_0
Workunit 31620661
Created 26 Oct 2026, 18:42:57 UTC
Sent 26 Oct 2026, 18:43:01 UTC
Report deadline 31 Oct 2026, 18:43:01 UTC
Received 27 Oct 2026, 3:45:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 20 min 20 sec
CPU time 17 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 804.53 MB
Peak swap size 10.08 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:25:54 (4592): wrapper (7.9.26016): starting
04:25:54 (4592): 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
04:25:55 (4592): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:25:55 (4592): 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 'D:\ProgramData\BOINC\slots\24\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 'D:\ProgramData\BOINC\slots\24\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
04:45:25 (4592): C:/Windows/system32/cmd.exe exited; CPU time 1060.562500
04:45:25 (4592): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 27104358 bytes.
Dumping objects ->
{3835471} normal block at 0x00000238A93963A0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000238A9396800, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x00000238A75D6510, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x00000238A75D6200, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000238A75D6190, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x00000238A9337BE0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x00000238A934EA60, 85 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) : {3835382} normal block at 0x00000238A75CEFC0, 8 bytes long.
 Data: <  V&#167;8   > 00 00 56 A7 38 02 00 00 
{3834663} normal block at 0x00000238A934E420, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000238A75CEED0, 8 bytes long.
 Data: <&#240;Y]&#167;8   > F0 59 5D A7 38 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000238A75D2450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000238A75C7A30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000238A75D6B30, 16 bytes long.
 Data: < ~]&#167;8           > 18 7E 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000238A75D6C70, 16 bytes long.
 Data: <&#240;}]&#167;8           > F0 7D 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000238A75D0880, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000238A75D71C0, 16 bytes long.
 Data: <&#200;}]&#167;8           > C8 7D 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000238A75D7A80, 16 bytes long.
 Data: <&#160;}]&#167;8           > A0 7D 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000238A75D7170, 16 bytes long.
 Data: <x}]&#167;8           > 78 7D 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000238A75D7440, 16 bytes long.
 Data: <P}]&#167;8           > 50 7D 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000238A75D60B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000238A75D74E0, 16 bytes long.
 Data: < &#184;[&#167;8           > 08 B8 5B A7 38 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000238A75D1120, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000238A75D79E0, 16 bytes long.
 Data: <&#224;&#183;[&#167;8           > E0 B7 5B A7 38 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000238A75D6FE0, 16 bytes long.
 Data: <&#184;&#183;[&#167;8           > B8 B7 5B A7 38 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000238A75D6C20, 16 bytes long.
 Data: < &#183;[&#167;8           > 90 B7 5B A7 38 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000238A75D7530, 16 bytes long.
 Data: <h&#183;[&#167;8           > 68 B7 5B A7 38 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000238A75D6F90, 16 bytes long.
 Data: <@&#183;[&#167;8           > 40 B7 5B A7 38 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000238A75D6DB0, 16 bytes long.
 Data: < &#183;[&#167;8           > 18 B7 5B A7 38 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000238A75D0760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000238A75D7120, 16 bytes long.
 Data: <&#240;&#182;[&#167;8           > F0 B6 5B A7 38 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000238A75BB6F0, 320 bytes long.
 Data: < q]&#167;8   ` ]&#167;8   > 20 71 5D A7 38 02 00 00 60 07 5D A7 38 02 00 00 
{280} normal block at 0x00000238A75D6BD0, 16 bytes long.
 Data: <0}]&#167;8           > 30 7D 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000238A75D6EF0, 16 bytes long.
 Data: < }]&#167;8           > 08 7D 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000238A75D0B80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000238A75D7580, 16 bytes long.
 Data: <&#224;|]&#167;8           > E0 7C 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000238A75D0B20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000238A75D70D0, 16 bytes long.
 Data: <(|]&#167;8           > 28 7C 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000238A75D6B80, 16 bytes long.
 Data: < |]&#167;8           > 00 7C 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000238A75D73A0, 16 bytes long.
 Data: <&#216;{]&#167;8           > D8 7B 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000238A75D7300, 16 bytes long.
 Data: <&#176;{]&#167;8           > B0 7B 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000238A75D72B0, 16 bytes long.
 Data: < {]&#167;8           > 88 7B 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000238A75D7080, 16 bytes long.
 Data: <`{]&#167;8           > 60 7B 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000238A75D7260, 16 bytes long.
 Data: <pb]&#167;8           > 70 62 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000238A75D6270, 40 bytes long.
 Data: <`r]&#167;8   &#224;{3&#169;8   > 60 72 5D A7 38 02 00 00 E0 7B 33 A9 38 02 00 00 
{266} normal block at 0x00000238A75D78F0, 16 bytes long.
 Data: <@{]&#167;8           > 40 7B 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000238A75D7990, 16 bytes long.
 Data: < {]&#167;8           > 18 7B 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000238A75D0E20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000238A75D77B0, 16 bytes long.
 Data: <&#240;z]&#167;8           > F0 7A 5D A7 38 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000238A75D7AF0, 992 bytes long.
 Data: <&#176;w]&#167;8     ]&#167;8   > B0 77 5D A7 38 02 00 00 20 0E 5D A7 38 02 00 00 
{98} normal block at 0x00000238A75D07C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000238A75CEDE0, 16 bytes long.
 Data: <&#192; \&#167;8           > C0 00 5C A7 38 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000238A75C00C0, 40 bytes long.
 Data: <&#224;&#237;\&#167;8   &#192; ]&#167;8   > E0 ED 5C A7 38 02 00 00 C0 07 5D A7 38 02 00 00 
{75} normal block at 0x00000238A75CECF0, 16 bytes long.
 Data: < &#234; &#139;&#246;           > 80 EA 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000238A75CF880, 16 bytes long.
 Data: <@&#233; &#139;&#246;           > 40 E9 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000238A75CF830, 16 bytes long.
 Data: <&#248;W &#139;&#246;           > F8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000238A75CF740, 16 bytes long.
 Data: <&#216;W &#139;&#246;           > D8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000238A75CEF70, 16 bytes long.
 Data: <P  &#139;&#246;           > 50 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000238A75CF7E0, 16 bytes long.
 Data: <0  &#139;&#246;           > 30 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000238A75CF6F0, 16 bytes long.
 Data: <&#224;  &#139;&#246;           > E0 02 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000238A75CF5B0, 16 bytes long.
 Data: <   &#139;&#246;           > 10 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000238A75CF150, 16 bytes long.
 Data: <p  &#139;&#246;           > 70 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000238A75CF560, 16 bytes long.
 Data: < &#192; &#139;&#246;           > 18 C0 16 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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