Task 38678489
| Name | test_157-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9681_0 |
| Workunit | 31620307 |
| Created | 26 Oct 2026, 17:35:10 UTC |
| Sent | 26 Oct 2026, 17:35:14 UTC |
| Report deadline | 31 Oct 2026, 17:35:14 UTC |
| Received | 27 Oct 2026, 8:14:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605863 |
| Run time | 1 hours 12 min 37 sec |
| CPU time | 1 hours 4 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,146.84 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 690.52 MB |
| Peak swap size | 8.36 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:37:28 (14872): wrapper (7.9.26016): starting
18:37:28 (14872): 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
18:37:29 (14872): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:37:29 (14872): 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.
09:08:50 (19516): wrapper (7.9.26016): starting
09:08:50 (19516): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo C:\ProgramData\BOINC\slots\0\tmp.
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
09:14:24 (19516): C:/Windows/system32/cmd.exe exited; CPU time 254.796875
09:14:24 (19516): 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: 5164852 bytes.
Dumping objects ->
{1785} normal block at 0x0000020FBBD84F80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1774} normal block at 0x0000020FBBD84F10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1763} normal block at 0x0000020FBBD84B20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1752} normal block at 0x0000020FBBD849D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1741} normal block at 0x0000020FBBD85060, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1710} normal block at 0x0000020FBBD70700, 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) : {1697} normal block at 0x0000020FBBD85E30, 8 bytes long.
Data: < > 00 00 D5 BB 0F 02 00 00
{307} normal block at 0x0000020FBBD85CA0, 8 bytes long.
Data: < k > 80 6B D8 BB 0F 02 00 00
{298} normal block at 0x0000020FBBD6F650, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000020FBBD85B60, 16 bytes long.
Data: < j > 88 6A D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020FBBD86290, 16 bytes long.
Data: <`j > 60 6A D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020FBBD7F630, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000020FBBD86560, 16 bytes long.
Data: <8j > 38 6A D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020FBBD85AC0, 16 bytes long.
Data: < j > 10 6A D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020FBBD859D0, 16 bytes long.
Data: < i > E8 69 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020FBBD85F20, 16 bytes long.
Data: < i > C0 69 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020FBBD84EA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000020FBBD85E80, 16 bytes long.
Data: < > F8 93 D7 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020FBBD80110, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000020FBBD86240, 16 bytes long.
Data: < > D0 93 D7 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020FBBD86150, 16 bytes long.
Data: < > A8 93 D7 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020FBBD86510, 16 bytes long.
Data: < > 80 93 D7 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020FBBD85ED0, 16 bytes long.
Data: <X > 58 93 D7 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020FBBD861F0, 16 bytes long.
Data: <0 > 30 93 D7 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020FBBD864C0, 16 bytes long.
Data: < > 08 93 D7 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020FBBD7FB10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000020FBBD85DE0, 16 bytes long.
Data: < > E0 92 D7 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020FBBD792E0, 320 bytes long.
Data: < ] > E0 5D D8 BB 0F 02 00 00 10 FB D7 BB 0F 02 00 00
{277} normal block at 0x0000020FBBD85D90, 16 bytes long.
Data: < i > A0 69 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020FBBD86100, 16 bytes long.
Data: <xi > 78 69 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020FBBD7FE10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000020FBBD85D40, 16 bytes long.
Data: <Pi > 50 69 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020FBBD800B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000020FBBD866A0, 16 bytes long.
Data: < h > 98 68 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020FBBD85C00, 16 bytes long.
Data: <ph > 70 68 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020FBBD863D0, 16 bytes long.
Data: <Hh > 48 68 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020FBBD85980, 16 bytes long.
Data: < h > 20 68 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020FBBD86380, 16 bytes long.
Data: < g > F8 67 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020FBBD85CF0, 16 bytes long.
Data: < g > D0 67 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020FBBD85C50, 16 bytes long.
Data: < L > E0 4C D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020FBBD84CE0, 40 bytes long.
Data: <P\ > 50 5C D8 BB 0F 02 00 00 00 07 D7 BB 0F 02 00 00
{263} normal block at 0x0000020FBBD86650, 16 bytes long.
Data: < g > B0 67 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020FBBD86470, 16 bytes long.
Data: < g > 88 67 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020FBBD7FDB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000020FBBD85B10, 16 bytes long.
Data: <`g > 60 67 D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020FBBD86760, 992 bytes long.
Data: < [ > 10 5B D8 BB 0F 02 00 00 B0 FD D7 BB 0F 02 00 00
{95} normal block at 0x0000020FBBD7FF90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000020FBBD7D780, 16 bytes long.
Data: <pL > 70 4C D8 BB 0F 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000020FBBD84C70, 40 bytes long.
Data: < > 80 D7 D7 BB 0F 02 00 00 90 FF D7 BB 0F 02 00 00
{72} normal block at 0x0000020FBBD7DBE0, 16 bytes long.
Data: < w > 80 EA 0D 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020FBBD7D690, 16 bytes long.
Data: <@ w > 40 E9 0D 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020FBBD7DE60, 16 bytes long.
Data: < W w > F8 57 0A 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020FBBD7E450, 16 bytes long.
Data: < W w > D8 57 0A 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020FBBD7DAF0, 16 bytes long.
Data: <P w > 50 04 0A 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020FBBD7E220, 16 bytes long.
Data: <0 w > 30 04 0A 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020FBBD7D730, 16 bytes long.
Data: < w > E0 02 0A 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020FBBD7D820, 16 bytes long.
Data: < w > 10 04 0A 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020FBBD7DB90, 16 bytes long.
Data: <p w > 70 04 0A 77 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020FBBD7E400, 16 bytes long.
Data: < w > 18 C0 08 77 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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