Task 38668496
| Name | test_716-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND0584_2 |
| Workunit | 31608737 |
| Created | 25 Oct 2026, 11:56:52 UTC |
| Sent | 25 Oct 2026, 11:56:57 UTC |
| Report deadline | 30 Oct 2026, 11:56:57 UTC |
| Received | 26 Oct 2026, 9:37:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652367 |
| Run time | 12 hours 56 min 1 sec |
| CPU time | 12 hours 40 min 23 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 24,724.80 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 752.20 MB |
| Peak swap size | 13.01 GB |
| Peak disk usage | 3.06 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:44:45 (11164): wrapper (7.9.26016): starting
23:44:45 (11164): 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
23:44:50 (11164): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:44:50 (11164): 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\17\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\17\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
12:36:00 (11164): C:/Windows/system32/cmd.exe exited; CPU time 45623.421875
12:36:00 (11164): 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: 1102901015 bytes.
Dumping objects ->
{3835530} normal block at 0x000002CEB6E0DC00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835519} normal block at 0x000002CEB6E0DD50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x000002CEB6E0DE30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835497} normal block at 0x000002CEB5055480, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835486} normal block at 0x000002CEB5055410, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835455} normal block at 0x000002CEB6E5BC80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835444} normal block at 0x000002CEB6E6E870, 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) : {3835441} normal block at 0x000002CEB504E5D0, 8 bytes long.
Data: < µÎ > 00 00 00 B5 CE 02 00 00
{3834698} normal block at 0x000002CEB6E6F580, 102 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 0x000002CEB504E670, 8 bytes long.
Data: <Pé µÎ > 50 E9 12 B5 CE 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002CEB5051E80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002CEB50476C0, 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 0x000002CEB5056DA0, 16 bytes long.
Data: <hs µÎ > 68 73 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002CEB5056580, 16 bytes long.
Data: <@s µÎ > 40 73 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002CEB504FED0, 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 0x000002CEB5056D50, 16 bytes long.
Data: < s µÎ > 18 73 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002CEB5056530, 16 bytes long.
Data: <ðr µÎ > F0 72 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002CEB50564E0, 16 bytes long.
Data: <Èr µÎ > C8 72 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002CEB5056210, 16 bytes long.
Data: < r µÎ > A0 72 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002CEB50554F0, 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 0x000002CEB5056990, 16 bytes long.
Data: <hú µÎ > 68 FA 03 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002CEB50506B0, 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 0x000002CEB5056C10, 16 bytes long.
Data: <@ú µÎ > 40 FA 03 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002CEB5056FD0, 16 bytes long.
Data: < ú µÎ > 18 FA 03 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002CEB5056710, 16 bytes long.
Data: <ðù µÎ > F0 F9 03 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002CEB5056CB0, 16 bytes long.
Data: <Èù µÎ > C8 F9 03 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002CEB5056490, 16 bytes long.
Data: < ù µÎ > A0 F9 03 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002CEB50561C0, 16 bytes long.
Data: <xù µÎ > 78 F9 03 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002CEB504FB70, 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 0x000002CEB5056C60, 16 bytes long.
Data: <Pù µÎ > 50 F9 03 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002CEB503F950, 320 bytes long.
Data: <`l µÎ pû µÎ > 60 6C 05 B5 CE 02 00 00 70 FB 04 B5 CE 02 00 00
{280} normal block at 0x000002CEB50563F0, 16 bytes long.
Data: < r µÎ > 80 72 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002CEB5056170, 16 bytes long.
Data: <Xr µÎ > 58 72 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002CEB504FD50, 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 0x000002CEB5056AD0, 16 bytes long.
Data: <0r µÎ > 30 72 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002CEB504FC90, 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 0x000002CEB5056B20, 16 bytes long.
Data: <xq µÎ > 78 71 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CEB50560D0, 16 bytes long.
Data: <Pq µÎ > 50 71 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002CEB5056A30, 16 bytes long.
Data: <(q µÎ > 28 71 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002CEB50568F0, 16 bytes long.
Data: < q µÎ > 00 71 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002CEB50563A0, 16 bytes long.
Data: <Øp µÎ > D8 70 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002CEB5056120, 16 bytes long.
Data: <°p µÎ > B0 70 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002CEB5056080, 16 bytes long.
Data: <0S µÎ > 30 53 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002CEB5055330, 40 bytes long.
Data: < ` µÎ ¼å¶Î > 80 60 05 B5 CE 02 00 00 80 BC E5 B6 CE 02 00 00
{266} normal block at 0x000002CEB5056A80, 16 bytes long.
Data: < p µÎ > 90 70 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002CEB5056F80, 16 bytes long.
Data: <hp µÎ > 68 70 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002CEB504FCF0, 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 0x000002CEB5056300, 16 bytes long.
Data: <@p µÎ > 40 70 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002CEB5057040, 992 bytes long.
Data: < c µÎ ðü µÎ > 00 63 05 B5 CE 02 00 00 F0 FC 04 B5 CE 02 00 00
{98} normal block at 0x000002CEB5050170, 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 0x000002CEB504E080, 16 bytes long.
Data: <`U µÎ > 60 55 05 B5 CE 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000002CEB5055560, 40 bytes long.
Data: < à µÎ p µÎ > 80 E0 04 B5 CE 02 00 00 70 01 05 B5 CE 02 00 00
{75} normal block at 0x000002CEB504E490, 16 bytes long.
Data: < êš ÷ > 80 EA 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002CEB504D900, 16 bytes long.
Data: <@éš ÷ > 40 E9 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002CEB504E710, 16 bytes long.
Data: <øW— ÷ > F8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002CEB504DF90, 16 bytes long.
Data: <ØW— ÷ > D8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002CEB504E6C0, 16 bytes long.
Data: <P — ÷ > 50 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002CEB504DB80, 16 bytes long.
Data: <0 — ÷ > 30 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002CEB504E0D0, 16 bytes long.
Data: <à — ÷ > E0 02 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002CEB504E580, 16 bytes long.
Data: < — ÷ > 10 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002CEB504DF40, 16 bytes long.
Data: <p — ÷ > 70 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002CEB504E030, 16 bytes long.
Data: < À• ÷ > 18 C0 95 05 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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