Task 38685424
| Name | test_406-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8261_0 |
| Workunit | 31626890 |
| Created | 27 Oct 2026, 20:58:42 UTC |
| Sent | 27 Oct 2026, 20:58:49 UTC |
| Report deadline | 1 Nov 2026, 20:58:49 UTC |
| Received | 27 Oct 2026, 22:30:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 44 min 30 sec |
| CPU time | 44 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 638.24 MB |
| Peak swap size | 6.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
05:43:20 (32092): wrapper (7.9.26016): starting
05:43:20 (32092): 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
05:43:21 (32092): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:43:21 (32092): 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
06:26:52 (32092): C:/Windows/system32/cmd.exe exited; CPU time 2670.000000
06:26:52 (32092): 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: 41594327 bytes.
Dumping objects ->
{3835255} normal block at 0x00000284755C1480, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x00000284755C0920, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x00000284755C1250, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835222} normal block at 0x00000284755C0BC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x00000284755C1170, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835180} normal block at 0x00000284756D1F20, 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) : {3835167} normal block at 0x0000028471E67F40, 8 bytes long.
Data: < s > 00 00 90 73 84 02 00 00
{3834025} normal block at 0x0000028471E68A30, 8 bytes long.
Data: < q > 80 EB F3 71 84 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000028471E66B70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028471E61780, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000028471E68300, 16 bytes long.
Data: <X} q > 58 7D E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028471E689E0, 16 bytes long.
Data: <0} q > 30 7D E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028471E62770, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000028471E68490, 16 bytes long.
Data: < } q > 08 7D E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028471E67F90, 16 bytes long.
Data: < | q > E0 7C E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028471E687B0, 16 bytes long.
Data: < | q > B8 7C E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028471E682B0, 16 bytes long.
Data: < | q > 90 7C E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028471E60DB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000028471E68760, 16 bytes long.
Data: < q > 18 17 E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028471E61990, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000028471E63BF0, 16 bytes long.
Data: < q > F0 16 E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028471E63BA0, 16 bytes long.
Data: < q > C8 16 E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000028471E63DD0, 16 bytes long.
Data: < q > A0 16 E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028471E63B50, 16 bytes long.
Data: <x q > 78 16 E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028471E64190, 16 bytes long.
Data: <P q > 50 16 E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028471E64690, 16 bytes long.
Data: <( q > 28 16 E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028471E61930, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000028471E64780, 16 bytes long.
Data: < q > 00 16 E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028471E61600, 320 bytes long.
Data: < G q 0 q > 80 47 E6 71 84 02 00 00 30 19 E6 71 84 02 00 00
{268} normal block at 0x0000028471E63D80, 16 bytes long.
Data: <p| q > 70 7C E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028471E64050, 16 bytes long.
Data: <H| q > 48 7C E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028471E61F30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000028471E64230, 16 bytes long.
Data: < | q > 20 7C E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028471E61CF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000028471E64730, 16 bytes long.
Data: <h{ q > 68 7B E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028471E646E0, 16 bytes long.
Data: <@{ q > 40 7B E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028471E64640, 16 bytes long.
Data: < { q > 18 7B E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000028471E64460, 16 bytes long.
Data: < z q > F0 7A E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000028471E64410, 16 bytes long.
Data: < z q > C8 7A E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000028471E643C0, 16 bytes long.
Data: < z q > A0 7A E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000028471E64370, 16 bytes long.
Data: <` q > 60 0C E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000028471E60C60, 40 bytes long.
Data: <pC q mu > 70 43 E6 71 84 02 00 00 20 1F 6D 75 84 02 00 00
{254} normal block at 0x0000028471E64320, 16 bytes long.
Data: < z q > 80 7A E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000028471E63E70, 16 bytes long.
Data: <Xz q > 58 7A E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000028471E62290, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000028471E63F60, 16 bytes long.
Data: <0z q > 30 7A E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000028471E67A30, 992 bytes long.
Data: <`? q " q > 60 3F E6 71 84 02 00 00 90 22 E6 71 84 02 00 00
{86} normal block at 0x0000028471E618D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000028471E642D0, 16 bytes long.
Data: < q > A0 0A E6 71 84 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000028471E60AA0, 40 bytes long.
Data: < B q q > D0 42 E6 71 84 02 00 00 D0 18 E6 71 84 02 00 00
{61} normal block at 0x0000028471E639C0, 16 bytes long.
Data: < J > 80 EA 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000028471E63CE0, 16 bytes long.
Data: <@ J > 40 E9 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000028471E63C90, 16 bytes long.
Data: < W J > F8 57 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000028471E63970, 16 bytes long.
Data: < W J > D8 57 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000028471E64870, 16 bytes long.
Data: <P J > 50 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000028471E645A0, 16 bytes long.
Data: <0 J > 30 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000028471E63B00, 16 bytes long.
Data: < J > E0 02 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000028471E647D0, 16 bytes long.
Data: < J > 10 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000028471E63920, 16 bytes long.
Data: <p J > 70 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x0000028471E64140, 16 bytes long.
Data: < J > 18 C0 10 4A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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