Task 38667329
| Name | test_555-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND8677_2 |
| Workunit | 31608387 |
| Created | 25 Oct 2026, 7:27:22 UTC |
| Sent | 25 Oct 2026, 7:27:30 UTC |
| Report deadline | 30 Oct 2026, 7:27:30 UTC |
| Received | 25 Oct 2026, 11:26:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638078 |
| Run time | 2 hours 59 min 8 sec |
| CPU time | 2 hours 32 min 10 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 51,075.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 817.11 MB |
| Peak swap size | 10.10 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:28:03 (30176): wrapper (7.9.26016): starting
09:28:03 (30176): 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
09:28:05 (30176): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:28:05 (30176): 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 'D:\ProgramData\BOINC\slots\24\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 'D:\ProgramData\BOINC\slots\24\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
12:26:30 (30176): C:/Windows/system32/cmd.exe exited; CPU time 9130.109375
12:26:30 (30176): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 232935764 bytes.
Dumping objects ->
{3835471} normal block at 0x00000241055E4B30, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835460} normal block at 0x00000241055E4190, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835449} normal block at 0x0000024103854AC0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835438} normal block at 0x0000024103854B30, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835427} normal block at 0x0000024103855070, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835396} normal block at 0x0000024105555580, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835385} normal block at 0x000002410556D520, 85 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) : {3835382} normal block at 0x000002410384DD50, 8 bytes long.
Data: < à A > 00 00 E0 03 41 02 00 00
{3834663} normal block at 0x000002410556D160, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x000002410384E1B0, 8 bytes long.
Data: <PL[ A > 50 4C 5B 05 41 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000024103850F30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000024103845E00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000024103855B40, 16 bytes long.
Data: < j… A > 18 6A 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024103855910, 16 bytes long.
Data: <ði… A > F0 69 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002410384F0A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000024103855AF0, 16 bytes long.
Data: <Èi… A > C8 69 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000241038560E0, 16 bytes long.
Data: < i… A > A0 69 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024103856040, 16 bytes long.
Data: <xi… A > 78 69 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000241038558C0, 16 bytes long.
Data: <Pi… A > 50 69 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024103854BA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000024103856630, 16 bytes long.
Data: <ØŠ„ A > D8 8A 84 03 41 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002410384F9A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000024103855D20, 16 bytes long.
Data: <°Š„ A > B0 8A 84 03 41 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024103855FF0, 16 bytes long.
Data: < Š„ A > 88 8A 84 03 41 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024103856400, 16 bytes long.
Data: <`Š„ A > 60 8A 84 03 41 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024103855FA0, 16 bytes long.
Data: <8Š„ A > 38 8A 84 03 41 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024103856090, 16 bytes long.
Data: < Š„ A > 10 8A 84 03 41 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024103856360, 16 bytes long.
Data: <艄 A > E8 89 84 03 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002410384FC40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000024103855820, 16 bytes long.
Data: <À‰„ A > C0 89 84 03 41 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000241038489C0, 320 bytes long.
Data: < X… A @ü„ A > 20 58 85 03 41 02 00 00 40 FC 84 03 41 02 00 00
{280} normal block at 0x0000024103855780, 16 bytes long.
Data: <0i… A > 30 69 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024103856310, 16 bytes long.
Data: < i… A > 08 69 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002410384EEC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000024103856270, 16 bytes long.
Data: <àh… A > E0 68 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002410384F700, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000024103856590, 16 bytes long.
Data: <(h… A > 28 68 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024103856540, 16 bytes long.
Data: < h… A > 00 68 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024103855D70, 16 bytes long.
Data: <Øg… A > D8 67 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000241038563B0, 16 bytes long.
Data: <°g… A > B0 67 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024103855F50, 16 bytes long.
Data: < g… A > 88 67 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000241038564F0, 16 bytes long.
Data: <`g… A > 60 67 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024103855F00, 16 bytes long.
Data: < L… A > 80 4C 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024103854C80, 40 bytes long.
Data: < _… A UU A > 00 5F 85 03 41 02 00 00 80 55 55 05 41 02 00 00
{266} normal block at 0x0000024103856180, 16 bytes long.
Data: <@g… A > 40 67 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024103855E60, 16 bytes long.
Data: < g… A > 18 67 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002410384F5E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000024103855C80, 16 bytes long.
Data: <ðf… A > F0 66 85 03 41 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000241038566F0, 992 bytes long.
Data: < \… A àõ„ A > 80 5C 85 03 41 02 00 00 E0 F5 84 03 41 02 00 00
{98} normal block at 0x000002410384F640, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000002410384DE90, 16 bytes long.
Data: < ì„ A > 90 EC 84 03 41 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000002410384EC90, 40 bytes long.
Data: < Þ„ A @ö„ A > 90 DE 84 03 41 02 00 00 40 F6 84 03 41 02 00 00
{75} normal block at 0x000002410384D530, 16 bytes long.
Data: < ê ö > 80 EA 81 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002410384E250, 16 bytes long.
Data: <@é ö > 40 E9 81 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002410384DCB0, 16 bytes long.
Data: <øW~ ö > F8 57 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002410384DC60, 16 bytes long.
Data: <ØW~ ö > D8 57 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002410384E020, 16 bytes long.
Data: <P ~ ö > 50 04 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002410384DAD0, 16 bytes long.
Data: <0 ~ ö > 30 04 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002410384E160, 16 bytes long.
Data: <à ~ ö > E0 02 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002410384DC10, 16 bytes long.
Data: < ~ ö > 10 04 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002410384E200, 16 bytes long.
Data: <p ~ ö > 70 04 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002410384D710, 16 bytes long.
Data: < À| ö > 18 C0 7C 1B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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