Task 38649231
| Name | test_385-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND8488_1 |
| Workunit | 31593446 |
| Created | 23 Oct 2026, 21:04:13 UTC |
| Sent | 23 Oct 2026, 21:22:52 UTC |
| Report deadline | 28 Oct 2026, 21:22:52 UTC |
| Received | 24 Oct 2026, 6:57:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653122 |
| Run time | 25 min 10 sec |
| CPU time | 21 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 47,850.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 734.88 MB |
| Peak swap size | 9.99 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:59:18 (33684): wrapper (7.9.26016): starting
23:59:18 (33684): 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
23:59:19 (33684): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:59:19 (33684): 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\1\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\1\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.
08:51:45 (17800): wrapper (7.9.26016): starting
08:51:45 (17800): 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\1\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
08:57:21 (17800): C:/Windows/system32/cmd.exe exited; CPU time 281.859375
08:57:21 (17800): 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: 6451852 bytes.
Dumping objects ->
{1545} normal block at 0x000002AAA2F44BA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1534} normal block at 0x000002AAA2F44D60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1523} normal block at 0x000002AAA2F44B30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1512} normal block at 0x000002AAA2F44F20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1501} normal block at 0x000002AAA2F44C80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1470} normal block at 0x000002AAA2F39400, 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) : {1457} normal block at 0x000002AAA2F45CE0, 8 bytes long.
Data: < > 00 00 EF A2 AA 02 00 00
{308} normal block at 0x000002AAA2F46AF0, 8 bytes long.
Data: < l > 00 6C F4 A2 AA 02 00 00
{299} normal block at 0x000002AAA2F36920, 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 0x000002AAA2F46640, 16 bytes long.
Data: < Z > F8 5A F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002AAA2F466E0, 16 bytes long.
Data: < Z > D0 5A F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002AAA2F3DBD0, 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 0x000002AAA2F46A50, 16 bytes long.
Data: < Z > A8 5A F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002AAA2F45D30, 16 bytes long.
Data: < Z > 80 5A F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002AAA2F46A00, 16 bytes long.
Data: <XZ > 58 5A F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002AAA2F468C0, 16 bytes long.
Data: <0Z > 30 5A F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002AAA2F44AC0, 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 0x000002AAA2F45C40, 16 bytes long.
Data: < > 98 F5 F2 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002AAA2F3E350, 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 0x000002AAA2F46780, 16 bytes long.
Data: <p > 70 F5 F2 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002AAA2F45DD0, 16 bytes long.
Data: <H > 48 F5 F2 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002AAA2F46690, 16 bytes long.
Data: < > 20 F5 F2 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002AAA2F45E70, 16 bytes long.
Data: < > F8 F4 F2 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002AAA2F460F0, 16 bytes long.
Data: < > D0 F4 F2 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AAA2F45E20, 16 bytes long.
Data: < > A8 F4 F2 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002AAA2F3E2F0, 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 0x000002AAA2F45FB0, 16 bytes long.
Data: < > 80 F4 F2 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002AAA2F2F480, 320 bytes long.
Data: < _ > B0 5F F4 A2 AA 02 00 00 F0 E2 F3 A2 AA 02 00 00
{278} normal block at 0x000002AAA2F460A0, 16 bytes long.
Data: < Z > 10 5A F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002AAA2F46500, 16 bytes long.
Data: < Y > E8 59 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002AAA2F3DF90, 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 0x000002AAA2F46050, 16 bytes long.
Data: < Y > C0 59 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002AAA2F3DB10, 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 0x000002AAA2F46AA0, 16 bytes long.
Data: < Y > 08 59 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002AAA2F462D0, 16 bytes long.
Data: < X > E0 58 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002AAA2F46820, 16 bytes long.
Data: < X > B8 58 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002AAA2F461E0, 16 bytes long.
Data: < X > 90 58 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002AAA2F46000, 16 bytes long.
Data: <hX > 68 58 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002AAA2F3EF50, 16 bytes long.
Data: <@X > 40 58 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002AAA2F3EE10, 16 bytes long.
Data: < M > D0 4D F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002AAA2F44DD0, 40 bytes long.
Data: < > 10 EE F3 A2 AA 02 00 00 00 94 F3 A2 AA 02 00 00
{264} normal block at 0x000002AAA2F3FD60, 16 bytes long.
Data: < X > 20 58 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002AAA2F3FA90, 16 bytes long.
Data: < W > F8 57 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002AAA2F3D630, 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 0x000002AAA2F3F090, 16 bytes long.
Data: < W > D0 57 F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002AAA2F457D0, 992 bytes long.
Data: < 0 > 90 F0 F3 A2 AA 02 00 00 30 D6 F3 A2 AA 02 00 00
{96} normal block at 0x000002AAA2F3D6F0, 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 0x000002AAA2F3F5E0, 16 bytes long.
Data: <PJ > 50 4A F4 A2 AA 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002AAA2F44A50, 40 bytes long.
Data: < > E0 F5 F3 A2 AA 02 00 00 F0 D6 F3 A2 AA 02 00 00
{73} normal block at 0x000002AAA2F3F220, 16 bytes long.
Data: < _ > 80 EA 8C 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002AAA2F3F9A0, 16 bytes long.
Data: <@ _ > 40 E9 8C 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002AAA2F3F8B0, 16 bytes long.
Data: < W _ > F8 57 89 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002AAA2F3F270, 16 bytes long.
Data: < W _ > D8 57 89 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002AAA2F3FAE0, 16 bytes long.
Data: <P _ > 50 04 89 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002AAA2F3F360, 16 bytes long.
Data: <0 _ > 30 04 89 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002AAA2F3EEB0, 16 bytes long.
Data: < _ > E0 02 89 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002AAA2F3FA40, 16 bytes long.
Data: < _ > 10 04 89 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002AAA2F3F180, 16 bytes long.
Data: <p _ > 70 04 89 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002AAA2F3FBD0, 16 bytes long.
Data: < _ > 18 C0 87 5F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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