Task 38678036
| Name | test_801-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9835_0 |
| Workunit | 31619878 |
| Created | 26 Oct 2026, 16:10:21 UTC |
| Sent | 26 Oct 2026, 16:10:27 UTC |
| Report deadline | 31 Oct 2026, 16:10:27 UTC |
| Received | 27 Oct 2026, 2:18:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631132 |
| Run time | 29 min 19 sec |
| CPU time | 26 min 46 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 | 714.76 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:11:46 (7380): wrapper (7.9.26016): starting
01:11:46 (7380): 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
01:11:47 (7380): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:11:47 (7380): 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\16\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\16\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 0x000001C1633BEA50, 8 bytes long.
Data: < c > 00 00 7F 63 C1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834056} normal block at 0x000001C1654141B0, 1080 bytes long.
Data: < > 10 15 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C1633C0B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:56:03 (10292): wrapper (7.9.26016): starting
10:56:03 (10292): 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\16\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
11:17:43 (10292): C:/Windows/system32/cmd.exe exited; CPU time 1234.000000
11:17:43 (10292): 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: 22539581 bytes.
Dumping objects ->
{1772} normal block at 0x0000019058B249A0, 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 0x0000019058B24CB0, 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 0x0000019058B24D20, 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 0x0000019058B248C0, 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 0x0000019058B24A80, 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 0x0000019058B0B5E0, 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 0x0000019058B0E560, 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 0x0000019058B25BC0, 8 bytes long.
Data: < X > 00 00 FD 58 90 01 00 00
{981} normal block at 0x0000019058B0EEB0, 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 0x0000019058B257B0, 8 bytes long.
Data: <`i X > 60 69 B2 58 90 01 00 00
{297} normal block at 0x0000019058B15E20, 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 0x0000019058B26070, 16 bytes long.
Data: <hh X > 68 68 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019058B25800, 16 bytes long.
Data: <@h X > 40 68 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019058B201C0, 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 0x0000019058B25B70, 16 bytes long.
Data: < h X > 18 68 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019058B25F80, 16 bytes long.
Data: < g X > F0 67 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019058B25620, 16 bytes long.
Data: < g X > C8 67 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019058B255D0, 16 bytes long.
Data: < g X > A0 67 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019058B24C40, 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 0x0000019058B26340, 16 bytes long.
Data: <x X > 78 B5 B0 58 90 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019058B20400, 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 0x0000019058B26020, 16 bytes long.
Data: <P X > 50 B5 B0 58 90 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019058B25EE0, 16 bytes long.
Data: <( X > 28 B5 B0 58 90 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019058B258A0, 16 bytes long.
Data: < X > 00 B5 B0 58 90 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019058B25E90, 16 bytes long.
Data: < X > D8 B4 B0 58 90 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019058B25DF0, 16 bytes long.
Data: < X > B0 B4 B0 58 90 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019058B25AD0, 16 bytes long.
Data: < X > 88 B4 B0 58 90 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019058B20460, 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 0x0000019058B26430, 16 bytes long.
Data: <` X > 60 B4 B0 58 90 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019058B0B460, 320 bytes long.
Data: <0d X ` X > 30 64 B2 58 90 01 00 00 60 04 B2 58 90 01 00 00
{276} normal block at 0x0000019058B25FD0, 16 bytes long.
Data: < g X > 80 67 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019058B25580, 16 bytes long.
Data: <Xg X > 58 67 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019058B1FB60, 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 0x0000019058B25DA0, 16 bytes long.
Data: <0g X > 30 67 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019058B1F920, 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 0x0000019058B25A80, 16 bytes long.
Data: <xf X > 78 66 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019058B26110, 16 bytes long.
Data: <Pf X > 50 66 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019058B25D50, 16 bytes long.
Data: <(f X > 28 66 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019058B25B20, 16 bytes long.
Data: < f X > 00 66 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019058B263E0, 16 bytes long.
Data: < e X > D8 65 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019058B264D0, 16 bytes long.
Data: < e X > B0 65 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019058B25850, 16 bytes long.
Data: < J X > 10 4A B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019058B24A10, 40 bytes long.
Data: <PX X X > 50 58 B2 58 90 01 00 00 E0 B5 B0 58 90 01 00 00
{262} normal block at 0x0000019058B262F0, 16 bytes long.
Data: < e X > 90 65 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019058B26480, 16 bytes long.
Data: <he X > 68 65 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019058B1FB00, 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 0x0000019058B258F0, 16 bytes long.
Data: <@e X > 40 65 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019058B26540, 992 bytes long.
Data: < X X X > F0 58 B2 58 90 01 00 00 00 FB B1 58 90 01 00 00
{94} normal block at 0x0000019058B1FF80, 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 0x0000019058B1EEB0, 16 bytes long.
Data: <0I X > 30 49 B2 58 90 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000019058B24930, 40 bytes long.
Data: < X X > B0 EE B1 58 90 01 00 00 80 FF B1 58 90 01 00 00
{69} normal block at 0x0000019058B1EAF0, 16 bytes long.
Data: < > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019058B1EFA0, 16 bytes long.
Data: <@ > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019058B1EC30, 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 0x0000019058B1E820, 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 0x0000019058B1E7D0, 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 0x0000019058B1EAA0, 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 0x0000019058B1E870, 16 bytes long.
Data: < > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019058B1F3B0, 16 bytes long.
Data: < > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019058B1EFF0, 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 0x0000019058B1EA50, 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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