Task 38677926
| Name | test_868-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND6118_0 |
| Workunit | 31619776 |
| Created | 26 Oct 2026, 15:50:37 UTC |
| Sent | 26 Oct 2026, 15:50:43 UTC |
| Report deadline | 31 Oct 2026, 15:50:43 UTC |
| Received | 26 Oct 2026, 16:20:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638078 |
| Run time | 20 min 6 sec |
| CPU time | 17 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| 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 | 804.82 MB |
| Peak swap size | 10.08 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:01:13 (42684): wrapper (7.9.26016): starting
17:01:13 (42684): 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
17:01:14 (42684): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:01:14 (42684): 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
17:20:36 (42684): C:/Windows/system32/cmd.exe exited; CPU time 1037.734375
17:20:36 (42684): 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: 26859432 bytes.
Dumping objects ->
{3835471} normal block at 0x0000028D99504350, 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 0x0000028D99504820, 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 0x0000028D97744BA0, 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 0x0000028D97744B30, 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 0x0000028D97744DD0, 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 0x0000028D9947B900, 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 0x0000028D9948CDA0, 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 0x0000028D9773D990, 8 bytes long.
Data: < n— > 00 00 6E 97 8D 02 00 00
{3834663} normal block at 0x0000028D9948DFC0, 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 0x0000028D9773D8F0, 8 bytes long.
Data: <PLM > 50 4C 4D 99 8D 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000028D97741930, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000028D97735FB0, 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 0x0000028D97745E60, 16 bytes long.
Data: < jt— > 18 6A 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000028D97746270, 16 bytes long.
Data: <ðit— > F0 69 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000028D9773F160, 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 0x0000028D97746630, 16 bytes long.
Data: <Èit— > C8 69 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028D97745A50, 16 bytes long.
Data: < it— > A0 69 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028D97746680, 16 bytes long.
Data: <xit— > 78 69 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028D97745870, 16 bytes long.
Data: <Pit— > 50 69 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028D97744F90, 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 0x0000028D97746400, 16 bytes long.
Data: <ØŠs— > D8 8A 73 97 8D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028D9773FBE0, 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 0x0000028D97745E10, 16 bytes long.
Data: <°Šs— > B0 8A 73 97 8D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028D977464A0, 16 bytes long.
Data: < Šs— > 88 8A 73 97 8D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028D97745C80, 16 bytes long.
Data: <`Šs— > 60 8A 73 97 8D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028D97745820, 16 bytes long.
Data: <8Šs— > 38 8A 73 97 8D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028D97745EB0, 16 bytes long.
Data: < Šs— > 10 8A 73 97 8D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028D97746360, 16 bytes long.
Data: <è‰s— > E8 89 73 97 8D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028D9773F940, 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 0x0000028D977462C0, 16 bytes long.
Data: <À‰s— > C0 89 73 97 8D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028D977389C0, 320 bytes long.
Data: <Àbt— @ùs— > C0 62 74 97 8D 02 00 00 40 F9 73 97 8D 02 00 00
{280} normal block at 0x0000028D97745780, 16 bytes long.
Data: <0it— > 30 69 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028D977457D0, 16 bytes long.
Data: < it— > 08 69 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028D9773F460, 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 0x0000028D977465E0, 16 bytes long.
Data: <àht— > E0 68 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028D9773EE00, 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 0x0000028D97745B40, 16 bytes long.
Data: <(ht— > 28 68 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028D97745C30, 16 bytes long.
Data: < ht— > 00 68 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028D97746540, 16 bytes long.
Data: <Øgt— > D8 67 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028D97745BE0, 16 bytes long.
Data: <°gt— > B0 67 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028D97745F50, 16 bytes long.
Data: < gt— > 88 67 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028D97745DC0, 16 bytes long.
Data: <`gt— > 60 67 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028D97745D70, 16 bytes long.
Data: <°Nt— > B0 4E 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028D97744EB0, 40 bytes long.
Data: <p]t— ¹G > 70 5D 74 97 8D 02 00 00 00 B9 47 99 8D 02 00 00
{266} normal block at 0x0000028D97745D20, 16 bytes long.
Data: <@gt— > 40 67 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028D97746090, 16 bytes long.
Data: < gt— > 18 67 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028D9773EDA0, 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 0x0000028D97746040, 16 bytes long.
Data: <ðft— > F0 66 74 97 8D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028D977466F0, 992 bytes long.
Data: <@`t—  ís— > 40 60 74 97 8D 02 00 00 A0 ED 73 97 8D 02 00 00
{98} normal block at 0x0000028D9773EF20, 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 0x0000028D9773D710, 16 bytes long.
Data: < ìs— > 90 EC 73 97 8D 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000028D9773EC90, 40 bytes long.
Data: < ×s— ïs— > 10 D7 73 97 8D 02 00 00 20 EF 73 97 8D 02 00 00
{75} normal block at 0x0000028D9773DD00, 16 bytes long.
Data: < êj ö > 80 EA 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000028D9773DCB0, 16 bytes long.
Data: <@éj ö > 40 E9 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000028D9773E110, 16 bytes long.
Data: <øWg ö > F8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000028D9773D670, 16 bytes long.
Data: <ØWg ö > D8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000028D9773DDA0, 16 bytes long.
Data: <P g ö > 50 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000028D9773E2F0, 16 bytes long.
Data: <0 g ö > 30 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000028D9773E2A0, 16 bytes long.
Data: <à g ö > E0 02 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028D9773DAD0, 16 bytes long.
Data: < g ö > 10 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028D9773D850, 16 bytes long.
Data: <p g ö > 70 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028D9773DE40, 16 bytes long.
Data: < Àe ö > 18 C0 65 01 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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