Task 38688651
| Name | test_107-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5431_0 |
| Workunit | 31629981 |
| Created | 28 Oct 2026, 15:21:22 UTC |
| Sent | 28 Oct 2026, 15:21:35 UTC |
| Report deadline | 2 Nov 2026, 15:21:35 UTC |
| Received | 28 Oct 2026, 16:30:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 506550 |
| Run time | 31 min 32 sec |
| CPU time | 24 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.55 MB |
| Peak swap size | 13.14 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:59:15 (6196): wrapper (7.9.26016): starting
08:59:15 (6196): 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
08:59:18 (6196): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:59:18 (6196): 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\19\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\19\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
09:29:59 (6196): C:/Windows/system32/cmd.exe exited; CPU time 1447.203125
09:29:59 (6196): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 27951239 bytes.
Dumping objects ->
{3835240} normal block at 0x000001B7DB015090, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000001B7DB014FB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x000001B7DB014ED0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835207} normal block at 0x000001B7DB014BC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x000001B7DB014A70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835165} normal block at 0x000001B7DCD58E50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000001B7DCDB5AB0, 155 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) : {3835151} normal block at 0x000001B7DB00F590, 8 bytes long.
Data: < üÚ· > 00 00 FC DA B7 01 00 00
{3834548} normal block at 0x000001B7DCDB5650, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001B7DB00F6D0, 8 bytes long.
Data: <ÐB Û· > D0 42 01 DB B7 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B7DB0111F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B7DB005F90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001B7DB015E10, 16 bytes long.
Data: < h Û· > 88 68 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B7DB0155F0, 16 bytes long.
Data: <`h Û· > 60 68 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B7DB0107E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001B7DB0157D0, 16 bytes long.
Data: <8h Û· > 38 68 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B7DB015DC0, 16 bytes long.
Data: < h Û· > 10 68 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B7DB0164A0, 16 bytes long.
Data: <èg Û· > E8 67 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B7DB0163B0, 16 bytes long.
Data: <Àg Û· > C0 67 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B7DB014C30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001B7DB016180, 16 bytes long.
Data: <è Û· > E8 90 00 DB B7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B7DB00FA60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001B7DB015F50, 16 bytes long.
Data: <À Û· > C0 90 00 DB B7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B7DB0160E0, 16 bytes long.
Data: < Û· > 98 90 00 DB B7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B7DB015FF0, 16 bytes long.
Data: <p Û· > 70 90 00 DB B7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B7DB016090, 16 bytes long.
Data: <H Û· > 48 90 00 DB B7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B7DB016040, 16 bytes long.
Data: < Û· > 20 90 00 DB B7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B7DB0164F0, 16 bytes long.
Data: <ø Û· > F8 8F 00 DB B7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B7DB00FDC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001B7DB015780, 16 bytes long.
Data: <Ð Û· > D0 8F 00 DB B7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B7DB008FD0, 320 bytes long.
Data: < W Û· Àý Û· > 80 57 01 DB B7 01 00 00 C0 FD 00 DB B7 01 00 00
{274} normal block at 0x000001B7DB015D70, 16 bytes long.
Data: < g Û· > A0 67 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B7DB015960, 16 bytes long.
Data: <xg Û· > 78 67 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B7DB010960, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001B7DB015C80, 16 bytes long.
Data: <Pg Û· > 50 67 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B7DB0106C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001B7DB015690, 16 bytes long.
Data: < f Û· > 98 66 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B7DB016360, 16 bytes long.
Data: <pf Û· > 70 66 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B7DB016130, 16 bytes long.
Data: <Hf Û· > 48 66 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B7DB016400, 16 bytes long.
Data: < f Û· > 20 66 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B7DB015AF0, 16 bytes long.
Data: <øe Û· > F8 65 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B7DB015B90, 16 bytes long.
Data: <Ðe Û· > D0 65 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B7DB0158C0, 16 bytes long.
Data: < I Û· > 90 49 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B7DB014990, 40 bytes long.
Data: <ÀX Û· PŽÕÜ· > C0 58 01 DB B7 01 00 00 50 8E D5 DC B7 01 00 00
{260} normal block at 0x000001B7DB0155A0, 16 bytes long.
Data: <°e Û· > B0 65 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B7DB016220, 16 bytes long.
Data: < e Û· > 88 65 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B7DB0104E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001B7DB015FA0, 16 bytes long.
Data: <`e Û· > 60 65 01 DB B7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B7DB016560, 992 bytes long.
Data: < _ Û· à Û· > A0 5F 01 DB B7 01 00 00 E0 04 01 DB B7 01 00 00
{92} normal block at 0x000001B7DB010480, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001B7DB00EF50, 16 bytes long.
Data: < ïÿÚ· > 80 EF FF DA B7 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001B7DAFFEF80, 40 bytes long.
Data: <Pï Û· Û· > 50 EF 00 DB B7 01 00 00 80 04 01 DB B7 01 00 00
{69} normal block at 0x000001B7DB00ED20, 16 bytes long.
Data: < ê}{ö > 80 EA 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B7DB00F7C0, 16 bytes long.
Data: <@é}{ö > 40 E9 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B7DB00EBE0, 16 bytes long.
Data: <øWz{ö > F8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B7DB00F8B0, 16 bytes long.
Data: <ØWz{ö > D8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B7DB00F950, 16 bytes long.
Data: <P z{ö > 50 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B7DB00F2C0, 16 bytes long.
Data: <0 z{ö > 30 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B7DB00F810, 16 bytes long.
Data: <à z{ö > E0 02 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B7DB00F1D0, 16 bytes long.
Data: < z{ö > 10 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B7DB00F900, 16 bytes long.
Data: <p z{ö > 70 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B7DB00EDC0, 16 bytes long.
Data: < Àx{ö > 18 C0 78 7B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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