Task 38675166
| Name | test_226-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND1126_0 |
| Workunit | 31617163 |
| Created | 26 Oct 2026, 7:30:32 UTC |
| Sent | 26 Oct 2026, 7:30:37 UTC |
| Report deadline | 31 Oct 2026, 7:30:37 UTC |
| Received | 26 Oct 2026, 13:46:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631132 |
| Run time | 41 min 31 sec |
| CPU time | 36 min 37 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,068.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 693.19 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.91 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:32:29 (7036): wrapper (7.9.26016): starting
16:32:29 (7036): 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
16:32:30 (7036): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:32:30 (7036): 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\9\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\9\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x00000225BE61EAF0, 8 bytes long.
Data: < % > 00 00 C1 BE 25 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834056} normal block at 0x00000225C06B41B0, 1080 bytes long.
Data: <H 8 > 48 08 00 00 CD CD CD CD 38 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000225BE6213D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:39:42 (13060): wrapper (7.9.26016): starting
20:39:42 (13060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x000002443FD861B0, 8 bytes long.
Data: < ?D > 00 00 D4 3F 44 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002443FD86960, 1080 bytes long.
Data: < X > 94 0B 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
22:24:27 (19504): wrapper (7.9.26016): starting
22:24:27 (19504): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
22:46:14 (19504): C:/Windows/system32/cmd.exe exited; CPU time 1239.140625
22:46:14 (19504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 22658296 bytes.
Dumping objects ->
{1772} normal block at 0x00000190BD124B60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1761} normal block at 0x00000190BD124BD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1750} normal block at 0x00000190BD124690, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1739} normal block at 0x00000190BD124A10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1728} normal block at 0x00000190BD124A80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1697} normal block at 0x00000190BD10B5E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1686} normal block at 0x00000190BD10E560, 180 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) : {1683} normal block at 0x00000190BD125850, 8 bytes long.
Data: < Y > 00 00 59 BD 90 01 00 00
{981} normal block at 0x00000190BD10EEB0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{306} normal block at 0x00000190BD1260C0, 8 bytes long.
Data: <`i > 60 69 12 BD 90 01 00 00
{297} normal block at 0x00000190BD116180, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000190BD125EE0, 16 bytes long.
Data: <hh > 68 68 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000190BD125A30, 16 bytes long.
Data: <@h > 40 68 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000190BD11F860, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000190BD125D50, 16 bytes long.
Data: < h > 18 68 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000190BD125E90, 16 bytes long.
Data: < g > F0 67 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000190BD125710, 16 bytes long.
Data: < g > C8 67 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000190BD125670, 16 bytes long.
Data: < g > A0 67 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000190BD1247E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000190BD125D00, 16 bytes long.
Data: <x > 78 B5 10 BD 90 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000190BD11FEC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000190BD125DF0, 16 bytes long.
Data: <P > 50 B5 10 BD 90 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000190BD125CB0, 16 bytes long.
Data: <( > 28 B5 10 BD 90 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000190BD1258F0, 16 bytes long.
Data: < > 00 B5 10 BD 90 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000190BD126340, 16 bytes long.
Data: < > D8 B4 10 BD 90 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000190BD125E40, 16 bytes long.
Data: < > B0 B4 10 BD 90 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000190BD125F80, 16 bytes long.
Data: < > 88 B4 10 BD 90 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000190BD11FCE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000190BD126070, 16 bytes long.
Data: <` > 60 B4 10 BD 90 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000190BD10B460, 320 bytes long.
Data: <p` > 70 60 12 BD 90 01 00 00 E0 FC 11 BD 90 01 00 00
{276} normal block at 0x00000190BD125B70, 16 bytes long.
Data: < g > 80 67 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000190BD126020, 16 bytes long.
Data: <Xg > 58 67 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000190BD11FC80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000190BD1258A0, 16 bytes long.
Data: <0g > 30 67 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000190BD11FB60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000190BD125990, 16 bytes long.
Data: <xf > 78 66 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000190BD125B20, 16 bytes long.
Data: <Pf > 50 66 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000190BD125760, 16 bytes long.
Data: <(f > 28 66 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000190BD125F30, 16 bytes long.
Data: < f > 00 66 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000190BD125940, 16 bytes long.
Data: < e > D8 65 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000190BD1255D0, 16 bytes long.
Data: < e > B0 65 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000190BD125FD0, 16 bytes long.
Data: < M > 20 4D 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000190BD124D20, 40 bytes long.
Data: < _ > D0 5F 12 BD 90 01 00 00 E0 B5 10 BD 90 01 00 00
{262} normal block at 0x00000190BD125AD0, 16 bytes long.
Data: < e > 90 65 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000190BD125DA0, 16 bytes long.
Data: <he > 68 65 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000190BD11FE60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000190BD125C60, 16 bytes long.
Data: <@e > 40 65 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000190BD126540, 992 bytes long.
Data: <`\ ` > 60 5C 12 BD 90 01 00 00 60 FE 11 BD 90 01 00 00
{94} normal block at 0x00000190BD11F7A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000190BD11EE10, 16 bytes long.
Data: < I > A0 49 12 BD 90 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000190BD1249A0, 40 bytes long.
Data: < > 10 EE 11 BD 90 01 00 00 A0 F7 11 BD 90 01 00 00
{69} normal block at 0x00000190BD11E9B0, 16 bytes long.
Data: < > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000190BD11F630, 16 bytes long.
Data: <@ > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000190BD11EAF0, 16 bytes long.
Data: < W > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000190BD11EDC0, 16 bytes long.
Data: < W > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000190BD11E7D0, 16 bytes long.
Data: <P > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000190BD11F4F0, 16 bytes long.
Data: <0 > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000190BD11E960, 16 bytes long.
Data: < > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000190BD11F450, 16 bytes long.
Data: < > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000190BD11F1D0, 16 bytes long.
Data: <p > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000190BD11E780, 16 bytes long.
Data: < > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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