Task 38665691
| Name | test_733-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND5452_0 |
| Workunit | 31608764 |
| Created | 25 Oct 2026, 1:25:53 UTC |
| Sent | 25 Oct 2026, 1:58:33 UTC |
| Report deadline | 30 Oct 2026, 1:58:33 UTC |
| Received | 25 Oct 2026, 15:41:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631132 |
| Run time | 4 hours 14 min 35 sec |
| CPU time | 4 hours 6 min 22 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| 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 | 709.71 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.22 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:55:27 (23588): wrapper (7.9.26016): starting
15:55:27 (23588): 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
15:55:28 (23588): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:55:28 (23588): 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\14\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\14\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 0x000001EAD37EEDE0, 8 bytes long.
Data: < t > 00 00 74 D3 EA 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834056} normal block at 0x000001EAD5782D60, 1080 bytes long.
Data: <( > 28 1C 00 00 CD CD CD CD F0 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001EAD37F0C20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:53:27 (23856): wrapper (7.9.26016): starting
21:53:27 (23856): 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\14\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
00:40:40 (23856): C:/Windows/system32/cmd.exe exited; CPU time 9780.265625
00:40:40 (23856): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 173484753 bytes.
Dumping objects ->
{1772} normal block at 0x000002825F744690, 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 0x000002825F744BD0, 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 0x000002825F744850, 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 0x000002825F744CB0, 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 0x000002825F744AF0, 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 0x000002825F72E710, 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 0x000002825F72B5C0, 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 0x000002825F745900, 8 bytes long.
Data: < _ > 00 00 CA 5F 82 02 00 00
{981} normal block at 0x000002825F72C180, 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 0x000002825F745FE0, 8 bytes long.
Data: <0ht_ > 30 68 74 5F 82 02 00 00
{297} normal block at 0x000002825F735EB0, 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 0x000002825F7457C0, 16 bytes long.
Data: <8gt_ > 38 67 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002825F745720, 16 bytes long.
Data: < gt_ > 10 67 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002825F73FA40, 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 0x000002825F745F90, 16 bytes long.
Data: < ft_ > E8 66 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002825F7462B0, 16 bytes long.
Data: < ft_ > C0 66 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002825F745F40, 16 bytes long.
Data: < ft_ > 98 66 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002825F745DB0, 16 bytes long.
Data: <pft_ > 70 66 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002825F744930, 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 0x000002825F745EF0, 16 bytes long.
Data: < r_ > A8 E6 72 5F 82 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002825F73FCE0, 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 0x000002825F7454A0, 16 bytes long.
Data: < r_ > 80 E6 72 5F 82 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002825F745450, 16 bytes long.
Data: <X r_ > 58 E6 72 5F 82 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002825F745CC0, 16 bytes long.
Data: <0 r_ > 30 E6 72 5F 82 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002825F745540, 16 bytes long.
Data: < r_ > 08 E6 72 5F 82 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002825F746350, 16 bytes long.
Data: < r_ > E0 E5 72 5F 82 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002825F7456D0, 16 bytes long.
Data: < r_ > B8 E5 72 5F 82 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002825F740640, 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 0x000002825F745C70, 16 bytes long.
Data: < r_ > 90 E5 72 5F 82 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002825F72E590, 320 bytes long.
Data: <p\t_ @ t_ > 70 5C 74 5F 82 02 00 00 40 06 74 5F 82 02 00 00
{276} normal block at 0x000002825F7455E0, 16 bytes long.
Data: <Pft_ > 50 66 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002825F745BD0, 16 bytes long.
Data: <(ft_ > 28 66 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002825F73FBC0, 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 0x000002825F746260, 16 bytes long.
Data: < ft_ > 00 66 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002825F73FF80, 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 0x000002825F7463A0, 16 bytes long.
Data: <Het_ > 48 65 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002825F7458B0, 16 bytes long.
Data: < et_ > 20 65 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002825F745D10, 16 bytes long.
Data: < dt_ > F8 64 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002825F745810, 16 bytes long.
Data: < dt_ > D0 64 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002825F745B30, 16 bytes long.
Data: < dt_ > A8 64 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002825F745C20, 16 bytes long.
Data: < dt_ > 80 64 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002825F745D60, 16 bytes long.
Data: < Mt_ > 20 4D 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002825F744D20, 40 bytes long.
Data: <`]t_ r_ > 60 5D 74 5F 82 02 00 00 10 E7 72 5F 82 02 00 00
{262} normal block at 0x000002825F745EA0, 16 bytes long.
Data: <`dt_ > 60 64 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002825F7459A0, 16 bytes long.
Data: <8dt_ > 38 64 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002825F73F7A0, 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 0x000002825F745E50, 16 bytes long.
Data: < dt_ > 10 64 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002825F746410, 992 bytes long.
Data: <P^t_ s_ > 50 5E 74 5F 82 02 00 00 A0 F7 73 5F 82 02 00 00
{94} normal block at 0x000002825F73FF20, 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 0x000002825F73F1D0, 16 bytes long.
Data: < Ht_ > C0 48 74 5F 82 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002825F7448C0, 40 bytes long.
Data: < s_ s_ > D0 F1 73 5F 82 02 00 00 20 FF 73 5F 82 02 00 00
{69} normal block at 0x000002825F73F540, 16 bytes long.
Data: < > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002825F73EFF0, 16 bytes long.
Data: <@ > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002825F73EFA0, 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 0x000002825F73EC80, 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 0x000002825F73F130, 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 0x000002825F73ED70, 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 0x000002825F73E730, 16 bytes long.
Data: < > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002825F73ECD0, 16 bytes long.
Data: < > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002825F73EF50, 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 0x000002825F73EAA0, 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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