Task 38677755
| Name | test_673-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8883_1 |
| Workunit | 31612563 |
| Created | 26 Oct 2026, 15:17:49 UTC |
| Sent | 26 Oct 2026, 15:17:56 UTC |
| Report deadline | 31 Oct 2026, 15:17:56 UTC |
| Received | 26 Oct 2026, 15:41:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649098 |
| Run time | 23 min 27 sec |
| CPU time | 20 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 91,065.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.69 MB |
| Peak swap size | 19.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:18:57 (24048): wrapper (7.9.26016): starting
16:18:57 (24048): 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
16:18:58 (24048): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:18:58 (24048): 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\9\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\9\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
16:41:39 (24048): C:/Windows/system32/cmd.exe exited; CPU time 1232.859375
16:41:39 (24048): 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: 24278413 bytes.
Dumping objects ->
{3835248} normal block at 0x000001C55F01E460, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x000001C55D1054D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000001C55D105460, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835215} normal block at 0x000001C55D1053F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x000001C55D105930, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835173} normal block at 0x000001C55F06A880, 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) : {3835160} normal block at 0x000001C55D1000D0, 8 bytes long.
Data: < o]Å > 00 00 6F 5D C5 01 00 00
{3833957} normal block at 0x000001C55D100580, 8 bytes long.
Data: < × ]Å > 80 D7 0E 5D C5 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001C55D101550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C55D0F6700, 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 0x000001C55D106AC0, 16 bytes long.
Data: <Ø^ ]Å > D8 5E 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C55D106250, 16 bytes long.
Data: <°^ ]Å > B0 5E 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C55D0FF5C0, 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 0x000001C55D1064D0, 16 bytes long.
Data: < ^ ]Å > 88 5E 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C55D106A20, 16 bytes long.
Data: <`^ ]Å > 60 5E 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C55D106F20, 16 bytes long.
Data: <8^ ]Å > 38 5E 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C55D106930, 16 bytes long.
Data: < ^ ]Å > 10 5E 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C55D105540, 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 0x000001C55D106ED0, 16 bytes long.
Data: <È ]Å > C8 01 0F 5D C5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C55D0FF200, 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 0x000001C55D106B60, 16 bytes long.
Data: <  ]Å > A0 01 0F 5D C5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C55D106570, 16 bytes long.
Data: <x ]Å > 78 01 0F 5D C5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C55D1066B0, 16 bytes long.
Data: <P ]Å > 50 01 0F 5D C5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C55D106F70, 16 bytes long.
Data: <( ]Å > 28 01 0F 5D C5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C55D106390, 16 bytes long.
Data: < ]Å > 00 01 0F 5D C5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C55D106B10, 16 bytes long.
Data: <Ø ]Å > D8 00 0F 5D C5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C55D0FF680, 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 0x000001C55D106D90, 16 bytes long.
Data: <° ]Å > B0 00 0F 5D C5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C55D0F00B0, 320 bytes long.
Data: < m ]Å ö ]Å > 90 6D 10 5D C5 01 00 00 80 F6 0F 5D C5 01 00 00
{274} normal block at 0x000001C55D1061B0, 16 bytes long.
Data: <ð] ]Å > F0 5D 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C55D106E30, 16 bytes long.
Data: <È] ]Å > C8 5D 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C55D0FF500, 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 0x000001C55D106DE0, 16 bytes long.
Data: < ] ]Å > A0 5D 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C55D0FF2C0, 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 0x000001C55D106E80, 16 bytes long.
Data: <è\ ]Å > E8 5C 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C55D106200, 16 bytes long.
Data: <À\ ]Å > C0 5C 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C55D1069D0, 16 bytes long.
Data: < \ ]Å > 98 5C 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C55D1062A0, 16 bytes long.
Data: <p\ ]Å > 70 5C 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C55D106700, 16 bytes long.
Data: <H\ ]Å > 48 5C 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C55D100210, 16 bytes long.
Data: < \ ]Å > 20 5C 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C55D100F80, 16 bytes long.
Data: < V ]Å > 90 56 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C55D105690, 40 bytes long.
Data: < ]Å ¨ _Å > 80 0F 10 5D C5 01 00 00 80 A8 06 5F C5 01 00 00
{260} normal block at 0x000001C55D1009E0, 16 bytes long.
Data: < \ ]Å > 00 5C 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C55D100D50, 16 bytes long.
Data: <Ø[ ]Å > D8 5B 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C55D0FFB60, 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 0x000001C55D1008A0, 16 bytes long.
Data: <°[ ]Å > B0 5B 10 5D C5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C55D105BB0, 992 bytes long.
Data: <  ]Å `û ]Å > A0 08 10 5D C5 01 00 00 60 FB 0F 5D C5 01 00 00
{92} normal block at 0x000001C55D0FFC20, 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 0x000001C55D100A80, 16 bytes long.
Data: <ðÆ ]Å > F0 C6 0E 5D C5 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001C55D0EC6F0, 40 bytes long.
Data: < ]Å ü ]Å > 80 0A 10 5D C5 01 00 00 20 FC 0F 5D C5 01 00 00
{69} normal block at 0x000001C55D100300, 16 bytes long.
Data: < 꽂÷ > 80 EA BD 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C55D100030, 16 bytes long.
Data: <@齂÷ > 40 E9 BD 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C55D100A30, 16 bytes long.
Data: <øWº‚÷ > F8 57 BA 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C55D100BC0, 16 bytes long.
Data: <ØWº‚÷ > D8 57 BA 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C55D100710, 16 bytes long.
Data: <P º‚÷ > 50 04 BA 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C55D100E90, 16 bytes long.
Data: <0 º‚÷ > 30 04 BA 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C55D100440, 16 bytes long.
Data: <à º‚÷ > E0 02 BA 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C55D100670, 16 bytes long.
Data: < º‚÷ > 10 04 BA 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C55D1008F0, 16 bytes long.
Data: <p º‚÷ > 70 04 BA 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C55D100620, 16 bytes long.
Data: < À¸‚÷ > 18 C0 B8 82 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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