Task 38678037
| Name | test_389-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2988_0 |
| Workunit | 31619879 |
| Created | 26 Oct 2026, 16:10:21 UTC |
| Sent | 26 Oct 2026, 16:10:27 UTC |
| Report deadline | 31 Oct 2026, 16:10:27 UTC |
| Received | 27 Oct 2026, 3:01:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631132 |
| Run time | 43 min 10 sec |
| CPU time | 38 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,068.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.53 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:19:25 (11856): wrapper (7.9.26016): starting
11:19:25 (11856): 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
11:19:26 (11856): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:19:26 (11856): 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\14\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\14\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.
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
12:01:27 (11856): C:/Windows/system32/cmd.exe exited; CPU time 2291.703125
12:01:27 (11856): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 42737381 bytes.
Dumping objects ->
{3835523} normal block at 0x0000021F2EE1CDC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835512} normal block at 0x0000021F2EE1CEA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x0000021F2EE1D060, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835490} normal block at 0x0000021F2EE1C730, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x0000021F2CF24A10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835448} normal block at 0x0000021F2EE64B00, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835437} normal block at 0x0000021F2EEC2E10, 180 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) : {3835434} normal block at 0x0000021F2CF1F2C0, 8 bytes long.
Data: < , > 00 00 EF 2C 1F 02 00 00
{3834732} normal block at 0x0000021F2EEC3860, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834057} normal block at 0x0000021F2CF1ED70, 8 bytes long.
Data: <°A . > B0 41 EC 2E 1F 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021F2CF209D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021F2CF16690, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000021F2CF26020, 16 bytes long.
Data: <hh , > 68 68 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021F2CF25800, 16 bytes long.
Data: <@h , > 40 68 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021F2CF204C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000021F2CF25C60, 16 bytes long.
Data: < h , > 18 68 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021F2CF25E90, 16 bytes long.
Data: < g , > F0 67 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021F2CF26250, 16 bytes long.
Data: <Èg , > C8 67 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021F2CF255D0, 16 bytes long.
Data: < g , > A0 67 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021F2CF248C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000021F2CF25FD0, 16 bytes long.
Data: <xµ , > 78 B5 F0 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021F2CF1F8C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000021F2CF25DF0, 16 bytes long.
Data: <Pµ , > 50 B5 F0 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021F2CF25760, 16 bytes long.
Data: <(µ , > 28 B5 F0 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021F2CF25940, 16 bytes long.
Data: < µ , > 00 B5 F0 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021F2CF25DA0, 16 bytes long.
Data: <Ø´ , > D8 B4 F0 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021F2CF25CB0, 16 bytes long.
Data: <°´ , > B0 B4 F0 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021F2CF258A0, 16 bytes long.
Data: < ´ , > 88 B4 F0 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021F2CF20580, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000021F2CF261B0, 16 bytes long.
Data: <`´ , > 60 B4 F0 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021F2CF0B460, 320 bytes long.
Data: <°a , , > B0 61 F2 2C 1F 02 00 00 80 05 F2 2C 1F 02 00 00
{276} normal block at 0x0000021F2CF262A0, 16 bytes long.
Data: < g , > 80 67 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021F2CF26110, 16 bytes long.
Data: <Xg , > 58 67 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021F2CF1FCE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000021F2CF264D0, 16 bytes long.
Data: <0g , > 30 67 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021F2CF20400, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000021F2CF263E0, 16 bytes long.
Data: <xf , > 78 66 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021F2CF26200, 16 bytes long.
Data: <Pf , > 50 66 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021F2CF25C10, 16 bytes long.
Data: <(f , > 28 66 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021F2CF25E40, 16 bytes long.
Data: < f , > 00 66 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021F2CF25710, 16 bytes long.
Data: <Øe , > D8 65 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021F2CF258F0, 16 bytes long.
Data: <°e , > B0 65 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021F2CF25BC0, 16 bytes long.
Data: <`K , > 60 4B F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021F2CF24B60, 40 bytes long.
Data: <À[ , K . > C0 5B F2 2C 1F 02 00 00 00 4B E6 2E 1F 02 00 00
{262} normal block at 0x0000021F2CF260C0, 16 bytes long.
Data: < e , > 90 65 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021F2CF26070, 16 bytes long.
Data: <he , > 68 65 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021F2CF20340, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000021F2CF25F80, 16 bytes long.
Data: <@e , > 40 65 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021F2CF26540, 992 bytes long.
Data: < _ , @ , > 80 5F F2 2C 1F 02 00 00 40 03 F2 2C 1F 02 00 00
{94} normal block at 0x0000021F2CF20280, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000021F2CF1F310, 16 bytes long.
Data: <pG , > 70 47 F2 2C 1F 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000021F2CF24770, 40 bytes long.
Data: < , , > 10 F3 F1 2C 1F 02 00 00 80 02 F2 2C 1F 02 00 00
{69} normal block at 0x0000021F2CF1F450, 16 bytes long.
Data: < ¦ > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021F2CF1F270, 16 bytes long.
Data: <@ ¦ > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021F2CF1F220, 16 bytes long.
Data: < W ¦ > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021F2CF1F1D0, 16 bytes long.
Data: <ØW ¦ > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021F2CF1EFF0, 16 bytes long.
Data: <P ¦ > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021F2CF1F5E0, 16 bytes long.
Data: <0 ¦ > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021F2CF1EF50, 16 bytes long.
Data: < ¦ > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021F2CF1F360, 16 bytes long.
Data: < ¦ > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021F2CF1F630, 16 bytes long.
Data: <p ¦ > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021F2CF1E960, 16 bytes long.
Data: < À ¦ > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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