Task 38677138
| Name | test_815-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7273_0 |
| Workunit | 31619021 |
| Created | 26 Oct 2026, 13:25:29 UTC |
| Sent | 26 Oct 2026, 13:25:30 UTC |
| Report deadline | 31 Oct 2026, 13:25:30 UTC |
| Received | 26 Oct 2026, 15:33:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653922 |
| Run time | 1 hours 10 min 54 sec |
| CPU time | 1 hours 5 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,073.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 647.05 MB |
| Peak swap size | 2.28 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:23:54 (2060): wrapper (7.9.26016): starting
15:23:54 (2060): 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
15:23:58 (2060): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:23:58 (2060): 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:\boinc\data\slots\1\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:\boinc\data\slots\1\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
16:32:58 (2060): C:/Windows/system32/cmd.exe exited; CPU time 3905.906250
16:32:58 (2060): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 41113895 bytes.
Dumping objects ->
{3835414} normal block at 0x000001C2FBA00250, 48 bytes long.
Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{3835403} normal block at 0x000001C2FD4B1210, 32 bytes long.
Data: <HOME=D:\boinc\da> 48 4F 4D 45 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{3835392} normal block at 0x000001C2FD4B2530, 32 bytes long.
Data: <TMP=D:\boinc\dat> 54 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 74
{3835381} normal block at 0x000001C2FD4B1090, 32 bytes long.
Data: <TEMP=D:\boinc\da> 54 45 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{3835370} normal block at 0x000001C2FD4B2770, 32 bytes long.
Data: <TMPDIR=D:\boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 62 6F 69 6E 63 5C
{3835339} normal block at 0x000001C2FBA00020, 48 bytes long.
Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
..\api\boinc_api.cpp(309) : {3835326} normal block at 0x000001C2FB9F77A0, 8 bytes long.
Data: < –ûÂ > 00 00 96 FB C2 01 00 00
{3833945} normal block at 0x000001C2FB9F7980, 8 bytes long.
Data: < QGýÂ > 20 51 47 FD C2 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001C2FB9FEFF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C2FBA00C80, 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 0x000001C2FBA01AA0, 16 bytes long.
Data: <h  ûÂ > 68 20 A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C2FBA01190, 16 bytes long.
Data: <@  ûÂ > 40 20 A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C2FB9FC440, 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 0x000001C2FBA019B0, 16 bytes long.
Data: <  ûÂ > 18 20 A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C2FBA01780, 16 bytes long.
Data: <ð  ûÂ > F0 1F A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C2FBA010A0, 16 bytes long.
Data: <È  ûÂ > C8 1F A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C2FBA01000, 16 bytes long.
Data: <   ûÂ > A0 1F A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C2FBA002C0, 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 0x000001C2FBA00FB0, 16 bytes long.
Data: <  ûÂ > 18 0C A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C2FB9FC5C0, 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 0x000001C2FBA01320, 16 bytes long.
Data: <ð  ûÂ > F0 0B A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C2FBA017D0, 16 bytes long.
Data: <È  ûÂ > C8 0B A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C2FBA01960, 16 bytes long.
Data: <   ûÂ > A0 0B A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C2FBA01550, 16 bytes long.
Data: <x  ûÂ > 78 0B A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C2FBA01A00, 16 bytes long.
Data: <P  ûÂ > 50 0B A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C2FBA01230, 16 bytes long.
Data: <(  ûÂ > 28 0B A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C2FB9FC3E0, 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 0x000001C2FBA01460, 16 bytes long.
Data: <  ûÂ > 00 0B A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C2FBA00B00, 320 bytes long.
Data: <`  û àßû > 60 14 A0 FB C2 01 00 00 E0 C3 9F FB C2 01 00 00
{268} normal block at 0x000001C2FBA01CD0, 16 bytes long.
Data: <  ûÂ > 80 1F A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C2FBA016E0, 16 bytes long.
Data: <X  ûÂ > 58 1F A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C2FB9FBFC0, 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 0x000001C2FBA01870, 16 bytes long.
Data: <0  ûÂ > 30 1F A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C2FB9FCAA0, 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 0x000001C2FBA00F60, 16 bytes long.
Data: <x  ûÂ > 78 1E A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C2FBA00F10, 16 bytes long.
Data: <P  ûÂ > 50 1E A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C2FBA01410, 16 bytes long.
Data: <(  ûÂ > 28 1E A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C2FBA01820, 16 bytes long.
Data: <  ûÂ > 00 1E A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C2FBA01690, 16 bytes long.
Data: <Ø  ûÂ > D8 1D A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C2FBA01640, 16 bytes long.
Data: <°  ûÂ > B0 1D A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C2FBA01140, 16 bytes long.
Data: <  ûÂ > 80 04 A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C2FBA00480, 40 bytes long.
Data: <@  ûÂ  ûÂ > 40 11 A0 FB C2 01 00 00 20 00 A0 FB C2 01 00 00
{254} normal block at 0x000001C2FBA01AF0, 16 bytes long.
Data: <  ûÂ > 90 1D A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001C2FBA00EC0, 16 bytes long.
Data: <h  ûÂ > 68 1D A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001C2FB9FC4A0, 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 0x000001C2FBA01910, 16 bytes long.
Data: <@  ûÂ > 40 1D A0 FB C2 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001C2FBA01D40, 992 bytes long.
Data: <  ûÂ  ÄŸûÂ > 10 19 A0 FB C2 01 00 00 A0 C4 9F FB C2 01 00 00
{86} normal block at 0x000001C2FB9FC6E0, 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 0x000001C2FB9F7750, 16 bytes long.
Data: < UžûÂ > 90 55 9E FB C2 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001C2FB9E5590, 40 bytes long.
Data: <PwŸû àÆŸû > 50 77 9F FB C2 01 00 00 E0 C6 9F FB C2 01 00 00
{63} normal block at 0x000001C2FB9F78E0, 16 bytes long.
Data: < ê6,ö > 80 EA 36 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C2FB9F7F20, 16 bytes long.
Data: <@é6,ö > 40 E9 36 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C2FB9F76B0, 16 bytes long.
Data: <øW3,ö > F8 57 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C2FB9F8510, 16 bytes long.
Data: <ØW3,ö > D8 57 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C2FB9F8060, 16 bytes long.
Data: <P 3,ö > 50 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C2FB9F7B60, 16 bytes long.
Data: <0 3,ö > 30 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C2FB9F7A20, 16 bytes long.
Data: <à 3,ö > E0 02 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001C2FB9F7890, 16 bytes long.
Data: < 3,ö > 10 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001C2FB9F7930, 16 bytes long.
Data: <p 3,ö > 70 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001C2FB9F8420, 16 bytes long.
Data: < À1,ö > 18 C0 31 2C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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