Task 38686422
| Name | test_449-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND0512_0 |
| Workunit | 31627854 |
| Created | 28 Oct 2026, 2:25:14 UTC |
| Sent | 28 Oct 2026, 2:25:18 UTC |
| Report deadline | 2 Nov 2026, 2:25:18 UTC |
| Received | 28 Oct 2026, 2:47:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 198644 |
| Run time | 21 min 22 sec |
| CPU time | 21 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.61 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:26:18 (16348): wrapper (7.9.26016): starting
19:26:18 (16348): 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
19:26:19 (16348): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:26:19 (16348): 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.
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
19:46:48 (16348): C:/Windows/system32/cmd.exe exited; CPU time 1272.796875
19:46:48 (16348): 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: 13764907 bytes.
Dumping objects ->
{3835314} normal block at 0x000001F9C3B25700, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835303} normal block at 0x000001F9C3B25620, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835292} normal block at 0x000001F9C3B25770, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835281} normal block at 0x000001F9C3B259A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835270} normal block at 0x000001F9C3B25690, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835239} normal block at 0x000001F9C588C5B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x000001F9C589F440, 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) : {3835225} normal block at 0x000001F9C3B20010, 8 bytes long.
Data: < ®Ãù > 00 00 AE C3 F9 01 00 00
{3834574} normal block at 0x000001F9C589F230, 102 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 0x000001F9C3B1F6B0, 8 bytes long.
Data: < M²Ãù > 20 4D B2 C3 F9 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F9C3B21130, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F9C3B0EDD0, 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 0x000001F9C3B26890, 16 bytes long.
Data: <xq²Ãù > 78 71 B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F9C3B26430, 16 bytes long.
Data: <Pq²Ãù > 50 71 B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F9C3B20900, 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 0x000001F9C3B26840, 16 bytes long.
Data: <(q²Ãù > 28 71 B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F9C3B25E90, 16 bytes long.
Data: < q²Ãù > 00 71 B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F9C3B263E0, 16 bytes long.
Data: <Øp²Ãù > D8 70 B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F9C3B26CF0, 16 bytes long.
Data: <°p²Ãù > B0 70 B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F9C3B25B60, 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 0x000001F9C3B260C0, 16 bytes long.
Data: <8ð±Ãù > 38 F0 B1 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F9C3B20720, 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 0x000001F9C3B26750, 16 bytes long.
Data: < ð±Ãù > 10 F0 B1 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F9C3B26700, 16 bytes long.
Data: <èï±Ãù > E8 EF B1 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F9C3B26250, 16 bytes long.
Data: <Àï±Ãù > C0 EF B1 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F9C3B266B0, 16 bytes long.
Data: < ï±Ãù > 98 EF B1 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F9C3B26CA0, 16 bytes long.
Data: <pï±Ãù > 70 EF B1 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F9C3B267F0, 16 bytes long.
Data: <Hï±Ãù > 48 EF B1 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F9C3B204E0, 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 0x000001F9C3B26660, 16 bytes long.
Data: < ï±Ãù > 20 EF B1 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F9C3B1EF20, 320 bytes long.
Data: <`f²Ãù à ²Ãù > 60 66 B2 C3 F9 01 00 00 E0 04 B2 C3 F9 01 00 00
{274} normal block at 0x000001F9C3B26C50, 16 bytes long.
Data: < p²Ãù > 90 70 B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F9C3B265C0, 16 bytes long.
Data: <hp²Ãù > 68 70 B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F9C3B20DE0, 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 0x000001F9C3B267A0, 16 bytes long.
Data: <@p²Ãù > 40 70 B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F9C3B20480, 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 0x000001F9C3B26610, 16 bytes long.
Data: < o²Ãù > 88 6F B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F9C3B26C00, 16 bytes long.
Data: <`o²Ãù > 60 6F B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F9C3B264D0, 16 bytes long.
Data: <8o²Ãù > 38 6F B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F9C3B26A70, 16 bytes long.
Data: < o²Ãù > 10 6F B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F9C3B26D40, 16 bytes long.
Data: <èn²Ãù > E8 6E B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F9C3B26070, 16 bytes long.
Data: <Àn²Ãù > C0 6E B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F9C3B26570, 16 bytes long.
Data: <ðZ²Ãù > F0 5A B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F9C3B25AF0, 40 bytes long.
Data: <pe²Ãù °Å Åù > 70 65 B2 C3 F9 01 00 00 B0 C5 88 C5 F9 01 00 00
{260} normal block at 0x000001F9C3B25F80, 16 bytes long.
Data: < n²Ãù > A0 6E B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F9C3B26BB0, 16 bytes long.
Data: <xn²Ãù > 78 6E B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F9C3B20A80, 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 0x000001F9C3B268E0, 16 bytes long.
Data: <Pn²Ãù > 50 6E B2 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F9C3B26E50, 992 bytes long.
Data: <àh²Ãù ²Ãù > E0 68 B2 C3 F9 01 00 00 80 0A B2 C3 F9 01 00 00
{92} normal block at 0x000001F9C3B20AE0, 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 0x000001F9C3B1FB10, 16 bytes long.
Data: <°å°Ãù > B0 E5 B0 C3 F9 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001F9C3B0E5B0, 40 bytes long.
Data: < û±Ãù à ²Ãù > 10 FB B1 C3 F9 01 00 00 E0 0A B2 C3 F9 01 00 00
{69} normal block at 0x000001F9C3B1F980, 16 bytes long.
Data: < êT ÷ > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F9C3B1F200, 16 bytes long.
Data: <@éT ÷ > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F9C3B1FC00, 16 bytes long.
Data: <øWQ ÷ > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F9C3B1FA70, 16 bytes long.
Data: <ØWQ ÷ > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F9C3B1F7F0, 16 bytes long.
Data: <P Q ÷ > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F9C3B1F250, 16 bytes long.
Data: <0 Q ÷ > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F9C3B1FBB0, 16 bytes long.
Data: <à Q ÷ > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F9C3B1F660, 16 bytes long.
Data: < Q ÷ > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F9C3B1FD90, 16 bytes long.
Data: <p Q ÷ > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F9C3B1F9D0, 16 bytes long.
Data: < ÀO ÷ > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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