Task 38685285
| Name | test_576-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2796_0 |
| Workunit | 31626760 |
| Created | 27 Oct 2026, 20:19:30 UTC |
| Sent | 27 Oct 2026, 20:19:31 UTC |
| Report deadline | 1 Nov 2026, 20:19:31 UTC |
| Received | 28 Oct 2026, 15:58:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 585156 |
| Run time | 31 min 50 sec |
| CPU time | 31 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 43,943.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.39 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>
21:25:15 (27040): wrapper (7.9.26016): starting
21:25:15 (27040): 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
21:25:16 (27040): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:25:16 (27040): 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\2\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\2\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.
16:27:37 (29460): wrapper (7.9.26016): starting
16:27:37 (29460): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\2\tmp" existiert bereits.
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
16:57:28 (29460): C:/Windows/system32/cmd.exe exited; CPU time 1814.312500
16:57:28 (29460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 38640950 bytes.
Dumping objects ->
{1587} normal block at 0x00000233F3F4ED00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1576} normal block at 0x00000233F3F4EE50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1565} normal block at 0x00000233F3F4E910, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1554} normal block at 0x00000233F3F4E9F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1543} normal block at 0x00000233F3F4EC90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1512} normal block at 0x00000233F3F39510, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1501} normal block at 0x00000233F3F368C0, 102 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) : {1498} normal block at 0x00000233F3F54420, 8 bytes long.
Data: < 3 > 00 00 EF F3 33 02 00 00
{892} normal block at 0x00000233F3F3C460, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{308} normal block at 0x00000233F3F54BA0, 8 bytes long.
Data: < R 3 > B0 52 F5 F3 33 02 00 00
{299} normal block at 0x00000233F3F3B580, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x00000233F3F54A60, 16 bytes long.
Data: < Q 3 > B8 51 F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000233F3F54DD0, 16 bytes long.
Data: < Q 3 > 90 51 F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000233F3F4C890, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000233F3F54060, 16 bytes long.
Data: <hQ 3 > 68 51 F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000233F3F54830, 16 bytes long.
Data: <@Q 3 > 40 51 F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000233F3F54600, 16 bytes long.
Data: < Q 3 > 18 51 F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000233F3F54D30, 16 bytes long.
Data: < P 3 > F0 50 F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000233F3F4ED70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000233F3F54560, 16 bytes long.
Data: < 3 > 18 D8 F3 F3 33 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000233F3F4D5B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000233F3F548D0, 16 bytes long.
Data: < 3 > F0 D7 F3 F3 33 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000233F3F54AB0, 16 bytes long.
Data: < 3 > C8 D7 F3 F3 33 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000233F3F54010, 16 bytes long.
Data: < 3 > A0 D7 F3 F3 33 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000233F3F544C0, 16 bytes long.
Data: <x 3 > 78 D7 F3 F3 33 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000233F3F546A0, 16 bytes long.
Data: <P 3 > 50 D7 F3 F3 33 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000233F3F54920, 16 bytes long.
Data: <( 3 > 28 D7 F3 F3 33 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000233F3F4CE30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000233F3F540B0, 16 bytes long.
Data: < 3 > 00 D7 F3 F3 33 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000233F3F3D700, 320 bytes long.
Data: < @ 3 0 3 > B0 40 F5 F3 33 02 00 00 30 CE F4 F3 33 02 00 00
{278} normal block at 0x00000233F3F54B50, 16 bytes long.
Data: < P 3 > D0 50 F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000233F3F547E0, 16 bytes long.
Data: < P 3 > A8 50 F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000233F3F4CAD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000233F3F542E0, 16 bytes long.
Data: < P 3 > 80 50 F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000233F3F4D430, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000233F3F54470, 16 bytes long.
Data: < O 3 > C8 4F F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000233F3F54740, 16 bytes long.
Data: < O 3 > A0 4F F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000233F3F54880, 16 bytes long.
Data: <xO 3 > 78 4F F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000233F3F545B0, 16 bytes long.
Data: <PO 3 > 50 4F F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000233F3F54510, 16 bytes long.
Data: <(O 3 > 28 4F F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000233F3F54B00, 16 bytes long.
Data: < O 3 > 00 4F F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000233F3F54C40, 16 bytes long.
Data: < 3 > 20 EC F4 F3 33 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000233F3F4EC20, 40 bytes long.
Data: <@L 3 3 > 40 4C F5 F3 33 02 00 00 10 95 F3 F3 33 02 00 00
{264} normal block at 0x00000233F3F53FC0, 16 bytes long.
Data: < N 3 > E0 4E F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000233F3F54240, 16 bytes long.
Data: < N 3 > B8 4E F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000233F3F4D490, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000233F3F54330, 16 bytes long.
Data: < N 3 > 90 4E F5 F3 33 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000233F3F54E90, 992 bytes long.
Data: <0C 3 3 > 30 43 F5 F3 33 02 00 00 90 D4 F4 F3 33 02 00 00
{96} normal block at 0x00000233F3F4CA70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000233F3F48490, 16 bytes long.
Data: < 3 > D0 EA F4 F3 33 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000233F3F4EAD0, 40 bytes long.
Data: < 3 p 3 > 90 84 F4 F3 33 02 00 00 70 CA F4 F3 33 02 00 00
{73} normal block at 0x00000233F3F48300, 16 bytes long.
Data: < * > 80 EA 2A 8A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000233F3F483F0, 16 bytes long.
Data: <@ * > 40 E9 2A 8A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000233F3F481C0, 16 bytes long.
Data: < W' > F8 57 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000233F3F479A0, 16 bytes long.
Data: < W' > D8 57 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000233F3F48170, 16 bytes long.
Data: <P ' > 50 04 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000233F3F48210, 16 bytes long.
Data: <0 ' > 30 04 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000233F3F48120, 16 bytes long.
Data: < ' > E0 02 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000233F3F47AE0, 16 bytes long.
Data: < ' > 10 04 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000233F3F47FE0, 16 bytes long.
Data: <p ' > 70 04 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000233F3F47F90, 16 bytes long.
Data: < % > 18 C0 25 8A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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