Task 38652709
| Name | test_568-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND4668_0 |
| Workunit | 31596826 |
| Created | 24 Oct 2026, 4:22:34 UTC |
| Sent | 24 Oct 2026, 4:33:38 UTC |
| Report deadline | 29 Oct 2026, 4:33:38 UTC |
| Received | 24 Oct 2026, 5:24:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 616957 |
| Run time | 24 min 53 sec |
| CPU time | 23 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,295.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.26 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:59:35 (28440): wrapper (7.9.26016): starting
06:59:35 (28440): 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
06:59:36 (28440): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:59:36 (28440): 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
07:24:04 (28440): C:/Windows/system32/cmd.exe exited; CPU time 1414.671875
07:24:04 (28440): 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: 26311223 bytes.
Dumping objects ->
{3835266} normal block at 0x000001F67CB55E70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x000001F67CB55E00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x000001F67CB560A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835233} normal block at 0x000001F67CB55CB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000001F67CB56110, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835191} normal block at 0x000001F67E9E83B0, 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) : {3835178} normal block at 0x000001F67CB503B0, 8 bytes long.
Data: < }ö > 00 00 13 7D F6 01 00 00
{3833963} normal block at 0x000001F67CB50310, 8 bytes long.
Data: <ж·|ö > D0 B6 B7 7C F6 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F67CB46E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F67CB40420, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001F67CB55330, 16 bytes long.
Data: <h[µ|ö > 68 5B B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F67CB552E0, 16 bytes long.
Data: <@[µ|ö > 40 5B B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F67CB50C80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001F67CB54480, 16 bytes long.
Data: < [µ|ö > 18 5B B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F67CB55290, 16 bytes long.
Data: <ðZµ|ö > F0 5A B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F67CB55240, 16 bytes long.
Data: <ÈZµ|ö > C8 5A B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F67CB547A0, 16 bytes long.
Data: < Zµ|ö > A0 5A B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F67CB562D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001F67CB54C00, 16 bytes long.
Data: <x·³|ö > 78 B7 B3 7C F6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F67CB507A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001F67CB54CF0, 16 bytes long.
Data: <P·³|ö > 50 B7 B3 7C F6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F67CB54C50, 16 bytes long.
Data: <(·³|ö > 28 B7 B3 7C F6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F67CB551F0, 16 bytes long.
Data: < ·³|ö > 00 B7 B3 7C F6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F67CB553D0, 16 bytes long.
Data: <ض³|ö > D8 B6 B3 7C F6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F67CB551A0, 16 bytes long.
Data: <°¶³|ö > B0 B6 B3 7C F6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F67CB54700, 16 bytes long.
Data: < ¶³|ö > 88 B6 B3 7C F6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F67CB512E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001F67CB55100, 16 bytes long.
Data: <`¶³|ö > 60 B6 B3 7C F6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F67CB3B660, 320 bytes long.
Data: < Qµ|ö à µ|ö > 00 51 B5 7C F6 01 00 00 E0 12 B5 7C F6 01 00 00
{277} normal block at 0x000001F67CB54A20, 16 bytes long.
Data: < Zµ|ö > 80 5A B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F67CB549D0, 16 bytes long.
Data: <XZµ|ö > 58 5A B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F67CB51040, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001F67CB55380, 16 bytes long.
Data: <0Zµ|ö > 30 5A B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F67CB50740, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001F67CB54D40, 16 bytes long.
Data: <xYµ|ö > 78 59 B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F67CB54B60, 16 bytes long.
Data: <PYµ|ö > 50 59 B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F67CB54BB0, 16 bytes long.
Data: <(Yµ|ö > 28 59 B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F67CB54750, 16 bytes long.
Data: < Yµ|ö > 00 59 B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F67CB550B0, 16 bytes long.
Data: <ØXµ|ö > D8 58 B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F67CB54E30, 16 bytes long.
Data: <°Xµ|ö > B0 58 B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F67CB546B0, 16 bytes long.
Data: < ]µ|ö > 20 5D B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F67CB55D20, 40 bytes long.
Data: <°Fµ|ö °ƒž~ö > B0 46 B5 7C F6 01 00 00 B0 83 9E 7E F6 01 00 00
{263} normal block at 0x000001F67CB54520, 16 bytes long.
Data: < Xµ|ö > 90 58 B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F67CB55150, 16 bytes long.
Data: <hXµ|ö > 68 58 B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F67CB51400, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001F67CB54B10, 16 bytes long.
Data: <@Xµ|ö > 40 58 B5 7C F6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F67CB55840, 992 bytes long.
Data: < Kµ|ö µ|ö > 10 4B B5 7C F6 01 00 00 00 14 B5 7C F6 01 00 00
{95} normal block at 0x000001F67CB51340, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001F67CB4FBE0, 16 bytes long.
Data: <Àȳ|ö > C0 C8 B3 7C F6 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001F67CB3C8C0, 40 bytes long.
Data: <àû´|ö @ µ|ö > E0 FB B4 7C F6 01 00 00 40 13 B5 7C F6 01 00 00
{72} normal block at 0x000001F67CB4FC80, 16 bytes long.
Data: < ê\C÷ > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F67CB501D0, 16 bytes long.
Data: <@é\C÷ > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F67CB4FC30, 16 bytes long.
Data: <øWYC÷ > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F67CB4F5A0, 16 bytes long.
Data: <ØWYC÷ > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F67CB4F730, 16 bytes long.
Data: <P YC÷ > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F67CB50220, 16 bytes long.
Data: <0 YC÷ > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F67CB50180, 16 bytes long.
Data: <à YC÷ > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F67CB500E0, 16 bytes long.
Data: < YC÷ > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F67CB4FE60, 16 bytes long.
Data: <p YC÷ > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F67CB50130, 16 bytes long.
Data: < ÀWC÷ > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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