Task 38657196
| Name | test_413-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0845_1 |
| Workunit | 31600600 |
| Created | 24 Oct 2026, 11:25:20 UTC |
| Sent | 24 Oct 2026, 11:36:25 UTC |
| Report deadline | 29 Oct 2026, 11:36:25 UTC |
| Received | 24 Oct 2026, 12:48:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629206 |
| Run time | 33 min 14 sec |
| CPU time | 33 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 707.23 MB |
| Peak swap size | 5.36 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
12:38:37 (28632): wrapper (7.9.26016): starting
12:38:37 (28632): 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
12:38:38 (28632): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:38:38 (28632): 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
13:47:44 (28632): C:/Windows/system32/cmd.exe exited; CPU time 1994.265625
13:47:44 (28632): 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: 82196913 bytes.
Dumping objects ->
{3835612} normal block at 0x000002633F87D020, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835601} normal block at 0x000002633F87CED0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835590} normal block at 0x000002633F87CB50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835579} normal block at 0x000002633F87CE60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835568} normal block at 0x000002633F87CBC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835537} normal block at 0x00000263415BD310, 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) : {3835524} normal block at 0x000002633F84ED30, 8 bytes long.
Data: < Ø?c > 00 00 D8 3F 63 02 00 00
{3833967} normal block at 0x000002633F84F640, 8 bytes long.
Data: <`iaAc > 60 69 61 41 63 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002633F84C790, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002633F845AB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000002633F859EE0, 16 bytes long.
Data: <h£…?c > 68 A3 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002633F859AD0, 16 bytes long.
Data: <@£…?c > 40 A3 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002633F854C00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000002633F8599E0, 16 bytes long.
Data: < £…?c > 18 A3 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002633F859350, 16 bytes long.
Data: <�c > F0 A2 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002633F859080, 16 bytes long.
Data: <È¢…?c > C8 A2 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002633F859DA0, 16 bytes long.
Data: < ¢…?c > A0 A2 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002633F852F10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000002633F859E90, 16 bytes long.
Data: <(>„?c > 28 3E 84 3F 63 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002633F8552C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000002633F859A80, 16 bytes long.
Data: < >„?c > 00 3E 84 3F 63 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002633F859C60, 16 bytes long.
Data: <Ø=„?c > D8 3D 84 3F 63 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002633F859FD0, 16 bytes long.
Data: <°=„?c > B0 3D 84 3F 63 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002633F8598A0, 16 bytes long.
Data: < =„?c > 88 3D 84 3F 63 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002633F859260, 16 bytes long.
Data: <`=„?c > 60 3D 84 3F 63 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002633F8592B0, 16 bytes long.
Data: <8=„?c > 38 3D 84 3F 63 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002633F854E40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000002633F859620, 16 bytes long.
Data: < =„?c > 10 3D 84 3F 63 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002633F843D10, 320 bytes long.
Data: < –…?c @N…?c > 20 96 85 3F 63 02 00 00 40 4E 85 3F 63 02 00 00
{279} normal block at 0x000002633F859580, 16 bytes long.
Data: < ¢…?c > 80 A2 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002633F859940, 16 bytes long.
Data: <X¢…?c > 58 A2 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002633F854F60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000002633F8595D0, 16 bytes long.
Data: <0¢…?c > 30 A2 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002633F854660, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000002633F859850, 16 bytes long.
Data: <x¡…?c > 78 A1 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002633F859CB0, 16 bytes long.
Data: <P¡…?c > 50 A1 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002633F859C10, 16 bytes long.
Data: <(¡…?c > 28 A1 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002633F859BC0, 16 bytes long.
Data: < ¡…?c > 00 A1 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002633F859B70, 16 bytes long.
Data: <Ø …?c > D8 A0 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002633F859300, 16 bytes long.
Data: <° …?c > B0 A0 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002633F8591C0, 16 bytes long.
Data: < 2…?c > 20 32 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002633F853220, 40 bytes long.
Data: <À‘…?c Ó[Ac > C0 91 85 3F 63 02 00 00 10 D3 5B 41 63 02 00 00
{265} normal block at 0x000002633F859490, 16 bytes long.
Data: <  …?c > 90 A0 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002633F859530, 16 bytes long.
Data: <h …?c > 68 A0 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002633F855020, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000002633F859670, 16 bytes long.
Data: <@ …?c > 40 A0 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002633F85A040, 992 bytes long.
Data: <p–…?c P…?c > 70 96 85 3F 63 02 00 00 20 50 85 3F 63 02 00 00
{97} normal block at 0x000002633F854F00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000002633F84F460, 16 bytes long.
Data: <@1…?c > 40 31 85 3F 63 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002633F853140, 40 bytes long.
Data: <`ô„?c O…?c > 60 F4 84 3F 63 02 00 00 00 4F 85 3F 63 02 00 00
{74} normal block at 0x000002633F84FC80, 16 bytes long.
Data: < ê¤%ö > 80 EA A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002633F84F500, 16 bytes long.
Data: <@é¤%ö > 40 E9 A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002633F84EE20, 16 bytes long.
Data: <øW¡%ö > F8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002633F84F550, 16 bytes long.
Data: <ØW¡%ö > D8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002633F84F3C0, 16 bytes long.
Data: <P ¡%ö > 50 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002633F84F370, 16 bytes long.
Data: <0 ¡%ö > 30 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002633F84F910, 16 bytes long.
Data: <à ¡%ö > E0 02 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002633F84FB40, 16 bytes long.
Data: < ¡%ö > 10 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002633F84F0A0, 16 bytes long.
Data: <p ¡%ö > 70 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002633F84FB90, 16 bytes long.
Data: < ÀŸ%ö > 18 C0 9F 25 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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