Task 38684553
| Name | test_305-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5899_0 |
| Workunit | 31626063 |
| Created | 27 Oct 2026, 16:54:47 UTC |
| Sent | 27 Oct 2026, 16:54:52 UTC |
| Report deadline | 1 Nov 2026, 16:54:52 UTC |
| Received | 27 Oct 2026, 18:19:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 1 hours 4 min 30 sec |
| CPU time | 1 hours 1 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.96 MB |
| Peak swap size | 14.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:04:42 (21168): wrapper (7.9.26016): starting
20:04:42 (21168): 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
20:04:45 (21168): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:04:45 (21168): 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\2\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\2\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) : {3835186} normal block at 0x000002840CEC7180, 8 bytes long.
Data: < > 00 00 9E 0E 84 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000002840ED22B70, 1080 bytes long.
Data: < > 88 E6 00 00 CD CD CD CD B4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002840CED2C30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:22:20 (50024): wrapper (7.9.26016): starting
20:22:20 (50024): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
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
21:10:55 (50024): C:/Windows/system32/cmd.exe exited; CPU time 2870.562500
21:10:55 (50024): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 71836558 bytes.
Dumping objects ->
{1614} normal block at 0x0000026AE57CDDA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x0000026AE57CDCC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x0000026AE57CDBE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x0000026AE57CDB70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x0000026AE57CDA20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x0000026AE57BC4A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1526} normal block at 0x0000026AE57D42D0, 8 bytes long.
Data: < x j > 00 00 78 E5 6A 02 00 00
{311} normal block at 0x0000026AE57D4780, 8 bytes long.
Data: < 9} j > A0 39 7D E5 6A 02 00 00
{302} normal block at 0x0000026AE57CF2B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000026AE57D4050, 16 bytes long.
Data: < R} j > E8 52 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000026AE57D4870, 16 bytes long.
Data: < R} j > C0 52 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000026AE57CCA70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000026AE57D43C0, 16 bytes long.
Data: < R} j > 98 52 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000026AE57D4A00, 16 bytes long.
Data: <pR} j > 70 52 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026AE57D4F50, 16 bytes long.
Data: <HR} j > 48 52 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026AE57D4F00, 16 bytes long.
Data: < R} j > 20 52 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026AE57CE120, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000026AE57D4E10, 16 bytes long.
Data: < { j > C8 C7 7B E5 6A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026AE57CCC50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000026AE57D4D20, 16 bytes long.
Data: < { j > A0 C7 7B E5 6A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026AE57D4370, 16 bytes long.
Data: <x { j > 78 C7 7B E5 6A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026AE57D4D70, 16 bytes long.
Data: <P { j > 50 C7 7B E5 6A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026AE57D4C80, 16 bytes long.
Data: <( { j > 28 C7 7B E5 6A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026AE57D4140, 16 bytes long.
Data: < { j > 00 C7 7B E5 6A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026AE57D4C30, 16 bytes long.
Data: < { j > D8 C6 7B E5 6A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026AE57CD0D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000026AE57D49B0, 16 bytes long.
Data: < { j > B0 C6 7B E5 6A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026AE57BC6B0, 320 bytes long.
Data: < I} j | j > B0 49 7D E5 6A 02 00 00 D0 D0 7C E5 6A 02 00 00
{281} normal block at 0x0000026AE57D4690, 16 bytes long.
Data: < R} j > 00 52 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026AE57D4BE0, 16 bytes long.
Data: < Q} j > D8 51 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026AE57CD3D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000026AE57D4EB0, 16 bytes long.
Data: < Q} j > B0 51 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026AE57CCCB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000026AE57D46E0, 16 bytes long.
Data: < P} j > F8 50 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026AE57D4410, 16 bytes long.
Data: < P} j > D0 50 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026AE57D4820, 16 bytes long.
Data: < P} j > A8 50 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026AE57D4640, 16 bytes long.
Data: < P} j > 80 50 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026AE57D4B90, 16 bytes long.
Data: <XP} j > 58 50 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026AE57D4000, 16 bytes long.
Data: <0P} j > 30 50 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026AE57D4CD0, 16 bytes long.
Data: < | j > B0 E0 7C E5 6A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026AE57CE0B0, 40 bytes long.
Data: < L} j { j > D0 4C 7D E5 6A 02 00 00 A0 C4 7B E5 6A 02 00 00
{267} normal block at 0x0000026AE57D4AA0, 16 bytes long.
Data: < P} j > 10 50 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026AE57D4550, 16 bytes long.
Data: < O} j > E8 4F 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026AE57CCB30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000026AE57D4AF0, 16 bytes long.
Data: < O} j > C0 4F 7D E5 6A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026AE57D4FC0, 992 bytes long.
Data: < J} j 0 | j > F0 4A 7D E5 6A 02 00 00 30 CB 7C E5 6A 02 00 00
{99} normal block at 0x0000026AE57CD2B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000026AE57C7D20, 16 bytes long.
Data: <@ | j > 40 E0 7C E5 6A 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000026AE57CE040, 40 bytes long.
Data: < }| j | j > 20 7D 7C E5 6A 02 00 00 B0 D2 7C E5 6A 02 00 00
{76} normal block at 0x0000026AE57C8B30, 16 bytes long.
Data: < r| > 80 EA 72 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000026AE57C87C0, 16 bytes long.
Data: <@ r| > 40 E9 72 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000026AE57C8590, 16 bytes long.
Data: < Wo| > F8 57 6F 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026AE57C8AE0, 16 bytes long.
Data: < Wo| > D8 57 6F 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026AE57C8770, 16 bytes long.
Data: <P o| > 50 04 6F 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026AE57C80E0, 16 bytes long.
Data: <0 o| > 30 04 6F 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026AE57C8A90, 16 bytes long.
Data: < o| > E0 02 6F 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026AE57C8270, 16 bytes long.
Data: < o| > 10 04 6F 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026AE57C7C80, 16 bytes long.
Data: <p o| > 70 04 6F 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026AE57C8400, 16 bytes long.
Data: < m| > 18 C0 6D 7C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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