Task 38662569
| Name | test_403-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND1692_0 |
| Workunit | 31605818 |
| Created | 24 Oct 2026, 19:44:49 UTC |
| Sent | 24 Oct 2026, 19:44:54 UTC |
| Report deadline | 29 Oct 2026, 19:44:54 UTC |
| Received | 26 Oct 2026, 13:59:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593262 |
| Run time | 24 min 28 sec |
| CPU time | 22 min 15 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 51,075.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 731.21 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:19:35 (18276): wrapper (7.9.26016): starting
23:19:35 (18276): 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
23:19:36 (18276): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:19:36 (18276): 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) : {3835207} normal block at 0x000001A903D6CA30, 8 bytes long.
Data: < > 00 00 D4 03 A9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833984} normal block at 0x000001A90429EB30, 1080 bytes long.
Data: < \ > A8 5C 00 00 CD CD CD CD 14 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001A903D70A90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:34:14 (29756): wrapper (7.9.26016): starting
14:34:14 (29756): 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\16\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
14:58:40 (29756): C:/Windows/system32/cmd.exe exited; CPU time 1335.093750
14:58:40 (29756): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 29535354 bytes.
Dumping objects ->
{1622} normal block at 0x00000269DEE1F850, 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 0x00000269DEE1FE70, 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 0x00000269DEE1FC40, 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 0x00000269DEE1FAF0, 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 0x00000269DEE1FCB0, 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 0x00000269DEE0F4C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1536} normal block at 0x00000269DEE0C4A0, 85 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) : {1533} normal block at 0x00000269DEE27770, 8 bytes long.
Data: < / i > 00 00 2F DF 69 02 00 00
{912} normal block at 0x00000269DEE0F420, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{311} normal block at 0x00000269DEE27220, 8 bytes long.
Data: <` i > 60 85 E2 DE 69 02 00 00
{302} normal block at 0x00000269DEE17CC0, 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 0x00000269DEE27F90, 16 bytes long.
Data: <h i > 68 84 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000269DEE27EF0, 16 bytes long.
Data: <@ i > 40 84 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000269DEE21EC0, 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 0x00000269DEE27180, 16 bytes long.
Data: < i > 18 84 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000269DEE27310, 16 bytes long.
Data: < i > F0 83 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000269DEE27D10, 16 bytes long.
Data: < i > C8 83 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000269DEE27A90, 16 bytes long.
Data: < i > A0 83 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000269DEE1FB60, 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 0x00000269DEE274F0, 16 bytes long.
Data: < i > B8 0D E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000269DEE229A0, 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 0x00000269DEE28030, 16 bytes long.
Data: < i > 90 0D E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000269DEE27CC0, 16 bytes long.
Data: <h i > 68 0D E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000269DEE27F40, 16 bytes long.
Data: <@ i > 40 0D E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000269DEE27DB0, 16 bytes long.
Data: < i > 18 0D E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000269DEE27B80, 16 bytes long.
Data: < i > F0 0C E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000269DEE27720, 16 bytes long.
Data: < i > C8 0C E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000269DEE21E60, 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 0x00000269DEE27B30, 16 bytes long.
Data: < i > A0 0C E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000269DEE10CA0, 320 bytes long.
Data: <0{ i ` i > 30 7B E2 DE 69 02 00 00 60 1E E2 DE 69 02 00 00
{281} normal block at 0x00000269DEE271D0, 16 bytes long.
Data: < i > 80 83 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000269DEE27E00, 16 bytes long.
Data: <X i > 58 83 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000269DEE21F80, 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 0x00000269DEE280D0, 16 bytes long.
Data: <0 i > 30 83 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000269DEE22580, 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 0x00000269DEE27BD0, 16 bytes long.
Data: <x i > 78 82 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000269DEE27860, 16 bytes long.
Data: <P i > 50 82 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000269DEE27900, 16 bytes long.
Data: <( i > 28 82 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000269DEE276D0, 16 bytes long.
Data: < i > 00 82 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000269DEE274A0, 16 bytes long.
Data: < i > D8 81 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000269DEE28080, 16 bytes long.
Data: < i > B0 81 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000269DEE272C0, 16 bytes long.
Data: < i > 10 FA E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000269DEE1FA10, 40 bytes long.
Data: < r i i > C0 72 E2 DE 69 02 00 00 C0 F4 E0 DE 69 02 00 00
{267} normal block at 0x00000269DEE273B0, 16 bytes long.
Data: < i > 90 81 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000269DEE27C70, 16 bytes long.
Data: <h i > 68 81 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000269DEE21DA0, 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 0x00000269DEE27680, 16 bytes long.
Data: <@ i > 40 81 E2 DE 69 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000269DEE28140, 992 bytes long.
Data: < v i i > 80 76 E2 DE 69 02 00 00 A0 1D E2 DE 69 02 00 00
{99} normal block at 0x00000269DEE22400, 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 0x00000269DEE1F040, 16 bytes long.
Data: < i > 80 FA E1 DE 69 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000269DEE1FA80, 40 bytes long.
Data: <@ i $ i > 40 F0 E1 DE 69 02 00 00 00 24 E2 DE 69 02 00 00
{76} normal block at 0x00000269DEE1F4A0, 16 bytes long.
Data: < < > 80 EA 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000269DEE1EFA0, 16 bytes long.
Data: <@ < > 40 E9 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000269DEE1F450, 16 bytes long.
Data: < W9 > F8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000269DEE1E910, 16 bytes long.
Data: < W9 > D8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000269DEE1F310, 16 bytes long.
Data: <P 9 > 50 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000269DEE1E8C0, 16 bytes long.
Data: <0 9 > 30 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000269DEE1E820, 16 bytes long.
Data: < 9 > E0 02 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000269DEE1F4F0, 16 bytes long.
Data: < 9 > 10 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000269DEE1EE10, 16 bytes long.
Data: <p 9 > 70 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000269DEE1EB90, 16 bytes long.
Data: < 7 > 18 C0 37 CE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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