Task 38686653
| Name | test_459-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4761_1 |
| Workunit | 31628068 |
| Created | 28 Oct 2026, 3:43:51 UTC |
| Sent | 28 Oct 2026, 3:43:52 UTC |
| Report deadline | 2 Nov 2026, 3:43:52 UTC |
| Received | 28 Oct 2026, 4:13:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 601046 |
| Run time | 28 min 20 sec |
| CPU time | 24 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,585.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.38 MB |
| Peak swap size | 8.50 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:45:33 (18728): wrapper (7.9.26016): starting
23:45:33 (18728): 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
23:45:34 (18728): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:45:34 (18728): 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\21\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\21\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
00:12:23 (18728): C:/Windows/system32/cmd.exe exited; CPU time 1488.671875
00:12:23 (18728): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 32237657 bytes.
Dumping objects ->
{3835236} normal block at 0x000001B9AA354EC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x000001B9AA354D70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x000001B9AA354E50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835203} normal block at 0x000001B9AA354F30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x000001B9AA354D00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835161} normal block at 0x000001B9ABFE4600, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x000001B9ABFFF390, 103 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) : {3835147} normal block at 0x000001B9AA34F390, 8 bytes long.
Data: < 2ª¹ > 00 00 32 AA B9 01 00 00
{3834543} normal block at 0x000001B9ABFFE940, 103 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001B9AA34F9D0, 8 bytes long.
Data: <`‚ý«¹ > 60 82 FD AB B9 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001B9AA350B40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B9AA3464D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001B9AA3557B0, 16 bytes long.
Data: <Xi5ª¹ > 58 69 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B9AA356200, 16 bytes long.
Data: <0i5ª¹ > 30 69 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B9AA3508B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001B9AA356070, 16 bytes long.
Data: < i5ª¹ > 08 69 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B9AA356570, 16 bytes long.
Data: <àh5ª¹ > E0 68 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B9AA356480, 16 bytes long.
Data: <¸h5ª¹ > B8 68 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B9AA3556C0, 16 bytes long.
Data: < h5ª¹ > 90 68 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B9AA355160, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001B9AA3563E0, 16 bytes long.
Data: <hè4ª¹ > 68 E8 34 AA B9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B9AA350430, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001B9AA356520, 16 bytes long.
Data: <@è4ª¹ > 40 E8 34 AA B9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B9AA3562A0, 16 bytes long.
Data: < è4ª¹ > 18 E8 34 AA B9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B9AA355670, 16 bytes long.
Data: <ðç4ª¹ > F0 E7 34 AA B9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B9AA355940, 16 bytes long.
Data: <Èç4ª¹ > C8 E7 34 AA B9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B9AA355AD0, 16 bytes long.
Data: < ç4ª¹ > A0 E7 34 AA B9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B9AA3560C0, 16 bytes long.
Data: <xç4ª¹ > 78 E7 34 AA B9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B9AA3507F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001B9AA3565C0, 16 bytes long.
Data: <Pç4ª¹ > 50 E7 34 AA B9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B9AA34E750, 320 bytes long.
Data: <Àe5ª¹ ð 5ª¹ > C0 65 35 AA B9 01 00 00 F0 07 35 AA B9 01 00 00
{275} normal block at 0x000001B9AA355EE0, 16 bytes long.
Data: <ph5ª¹ > 70 68 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B9AA355A80, 16 bytes long.
Data: <Hh5ª¹ > 48 68 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B9AA34FCB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001B9AA3561B0, 16 bytes long.
Data: < h5ª¹ > 20 68 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B9AA34FDD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001B9AA356020, 16 bytes long.
Data: <hg5ª¹ > 68 67 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B9AA3558A0, 16 bytes long.
Data: <@g5ª¹ > 40 67 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B9AA355D00, 16 bytes long.
Data: < g5ª¹ > 18 67 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B9AA355A30, 16 bytes long.
Data: <ðf5ª¹ > F0 66 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B9AA355DA0, 16 bytes long.
Data: <Èf5ª¹ > C8 66 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B9AA355710, 16 bytes long.
Data: < f5ª¹ > A0 66 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B9AA356430, 16 bytes long.
Data: < P5ª¹ > 10 50 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B9AA355010, 40 bytes long.
Data: <0d5ª¹ Fþ«¹ > 30 64 35 AA B9 01 00 00 00 46 FE AB B9 01 00 00
{261} normal block at 0x000001B9AA356110, 16 bytes long.
Data: < f5ª¹ > 80 66 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B9AA355E90, 16 bytes long.
Data: <Xf5ª¹ > 58 66 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B9AA350790, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001B9AA355760, 16 bytes long.
Data: <0f5ª¹ > 30 66 35 AA B9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B9AA356630, 992 bytes long.
Data: <`W5ª¹ 5ª¹ > 60 57 35 AA B9 01 00 00 90 07 35 AA B9 01 00 00
{93} normal block at 0x000001B9AA350550, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001B9AA34EB20, 16 bytes long.
Data: <ðÝ3ª¹ > F0 DD 33 AA B9 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001B9AA33DDF0, 40 bytes long.
Data: < ë4ª¹ P 5ª¹ > 20 EB 34 AA B9 01 00 00 50 05 35 AA B9 01 00 00
{70} normal block at 0x000001B9AA34F980, 16 bytes long.
Data: < ê„ ÷ > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B9AA34FA20, 16 bytes long.
Data: <@é„ ÷ > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B9AA34F430, 16 bytes long.
Data: <øW ÷ > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B9AA34EDA0, 16 bytes long.
Data: <ØW ÷ > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B9AA34ED50, 16 bytes long.
Data: <P ÷ > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B9AA34ECB0, 16 bytes long.
Data: <0 ÷ > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B9AA34F2F0, 16 bytes long.
Data: <à ÷ > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B9AA34F930, 16 bytes long.
Data: < ÷ > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B9AA34F4D0, 16 bytes long.
Data: <p ÷ > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B9AA34F200, 16 bytes long.
Data: < À ÷ > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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