Task 38700013
| Name | test_659-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6261_0 |
| Workunit | 31640352 |
| Created | 6 Nov 2026, 13:32:58 UTC |
| Sent | 6 Nov 2026, 13:33:04 UTC |
| Report deadline | 11 Nov 2026, 13:33:04 UTC |
| Received | 7 Nov 2026, 11:11:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 494513 |
| Run time | 30 min 41 sec |
| CPU time | 28 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,490.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.00 MB |
| Peak swap size | 6.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:39:03 (7256): wrapper (7.9.26016): starting
13:39:03 (7256): 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
13:39:05 (7256): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:39:05 (7256): 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\0\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\0\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) : {3835198} normal block at 0x0000024E7A7EF1A0, 8 bytes long.
Data: < zN > 00 00 CB 7A 4E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833978} normal block at 0x0000024E7C47E590, 1080 bytes long.
Data: < j > 1C 6A 00 00 CD CD CD CD E4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x0000024E7A7F2A30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:00:00 (4432): wrapper (7.9.26016): starting
11:00:00 (4432): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
11:10:47 (4432): C:/Windows/system32/cmd.exe exited; CPU time 605.000000
11:10:47 (4432): 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: 12518464 bytes.
Dumping objects ->
{1622} normal block at 0x00000162B5905920, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1611} normal block at 0x00000162B59057D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1600} normal block at 0x00000162B5905B50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1589} normal block at 0x00000162B5905E60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1578} normal block at 0x00000162B5905AE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1547} normal block at 0x00000162B5901C80, 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) : {1534} normal block at 0x00000162B5907AE0, 8 bytes long.
Data: < b > 00 00 8D B5 62 01 00 00
{315} normal block at 0x00000162B5907950, 8 bytes long.
Data: < b > C0 89 90 B5 62 01 00 00
{306} normal block at 0x00000162B58F8BF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{305} normal block at 0x00000162B5908490, 16 bytes long.
Data: < b > C8 88 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000162B5907860, 16 bytes long.
Data: < b > A0 88 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000162B58FF800, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{302} normal block at 0x00000162B5907810, 16 bytes long.
Data: <x b > 78 88 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000162B5907B30, 16 bytes long.
Data: <P b > 50 88 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000162B5908260, 16 bytes long.
Data: <( b > 28 88 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000162B5907E00, 16 bytes long.
Data: < b > 00 88 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000162B5905A00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{297} normal block at 0x00000162B5907EA0, 16 bytes long.
Data: < b > 18 1C 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000162B58FF2C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{295} normal block at 0x00000162B5907D10, 16 bytes long.
Data: < b > F0 1B 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000162B5907900, 16 bytes long.
Data: < b > C8 1B 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000162B5907A40, 16 bytes long.
Data: < b > A0 1B 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000162B5907D60, 16 bytes long.
Data: <x b > 78 1B 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000162B59084E0, 16 bytes long.
Data: <P b > 50 1B 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000162B5907C70, 16 bytes long.
Data: <( b > 28 1B 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000162B58FF3E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{287} normal block at 0x00000162B5908210, 16 bytes long.
Data: < b > 00 1B 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000162B5901B00, 320 bytes long.
Data: < b b > 10 82 90 B5 62 01 00 00 E0 F3 8F B5 62 01 00 00
{285} normal block at 0x00000162B59077C0, 16 bytes long.
Data: < b > E0 87 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000162B5908440, 16 bytes long.
Data: < b > B8 87 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000162B58FF1A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{282} normal block at 0x00000162B5907DB0, 16 bytes long.
Data: < b > 90 87 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000162B58FF7A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{280} normal block at 0x00000162B5907770, 16 bytes long.
Data: < b > D8 86 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000162B5907720, 16 bytes long.
Data: < b > B0 86 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000162B59078B0, 16 bytes long.
Data: < b > 88 86 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000162B59083A0, 16 bytes long.
Data: <` b > 60 86 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000162B59083F0, 16 bytes long.
Data: <8 b > 38 86 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000162B59076D0, 16 bytes long.
Data: < b > 10 86 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000162B59079A0, 16 bytes long.
Data: <pZ b > 70 5A 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000162B5905A70, 40 bytes long.
Data: < y b b > A0 79 90 B5 62 01 00 00 80 1C 90 B5 62 01 00 00
{271} normal block at 0x00000162B5907630, 16 bytes long.
Data: < b > F0 85 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000162B5907A90, 16 bytes long.
Data: < b > C8 85 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000162B58FF680, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{268} normal block at 0x00000162B5907B80, 16 bytes long.
Data: < b > A0 85 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000162B59085A0, 992 bytes long.
Data: < { b b > 80 7B 90 B5 62 01 00 00 80 F6 8F B5 62 01 00 00
{103} normal block at 0x00000162B58FF260, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{102} normal block at 0x00000162B5902070, 16 bytes long.
Data: < Y b > 90 59 90 B5 62 01 00 00 00 00 00 00 00 00 00 00
{101} normal block at 0x00000162B5905990, 40 bytes long.
Data: <p b ` b > 70 20 90 B5 62 01 00 00 60 F2 8F B5 62 01 00 00
{80} normal block at 0x00000162B5902480, 16 bytes long.
Data: < [ > 80 EA 5B E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000162B59023E0, 16 bytes long.
Data: <@ [ > 40 E9 5B E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000162B5902390, 16 bytes long.
Data: < WX > F8 57 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000162B5902250, 16 bytes long.
Data: < WX > D8 57 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000162B5902660, 16 bytes long.
Data: <P X > 50 04 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000162B5902340, 16 bytes long.
Data: <0 X > 30 04 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000162B59022F0, 16 bytes long.
Data: < X > E0 02 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000162B5901D50, 16 bytes long.
Data: < X > 10 04 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000162B5902890, 16 bytes long.
Data: <p X > 70 04 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000162B59021B0, 16 bytes long.
Data: < V > 18 C0 56 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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