Task 38681737
| Name | test_363-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND1539_0 |
| Workunit | 31623390 |
| Created | 27 Oct 2026, 5:10:00 UTC |
| Sent | 27 Oct 2026, 5:10:03 UTC |
| Report deadline | 1 Nov 2026, 5:10:03 UTC |
| Received | 27 Oct 2026, 6:31:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625378 |
| Run time | 1 hours 20 min 41 sec |
| CPU time | 1 hours 12 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,564.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.68 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:13:53 (28524): wrapper (7.9.26016): starting
23:13:53 (28524): 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
23:13:54 (28524): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:13:54 (28524): 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
00:31:11 (28524): C:/Windows/system32/cmd.exe exited; CPU time 4354.859375
00:31:11 (28524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 83863281 bytes.
Dumping objects ->
{3835871} normal block at 0x0000016ECD7CF250, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835860} normal block at 0x0000016ECBA66C00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835849} normal block at 0x0000016ECBA669D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835838} normal block at 0x0000016ECBA66960, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835827} normal block at 0x0000016ECBA668F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835796} normal block at 0x0000016ECD817E50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835785} normal block at 0x0000016ECBA8C890, 120 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) : {3835782} normal block at 0x0000016ECBA5F870, 8 bytes long.
Data: < £Ën > 00 00 A3 CB 6E 01 00 00
{3834849} normal block at 0x0000016ECBA8C290, 120 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833971} normal block at 0x0000016ECBA5ECE0, 8 bytes long.
Data: < U‡Ín > 00 55 87 CD 6E 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000016ECBA639F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000016ECBA58020, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000016ECBA67EB0, 16 bytes long.
Data: <Ȇ¦Ën > C8 86 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000016ECBA675F0, 16 bytes long.
Data: < †¦Ën > A0 86 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000016ECBA61A00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000016ECBA67C30, 16 bytes long.
Data: <x†¦Ën > 78 86 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000016ECBA67870, 16 bytes long.
Data: <P†¦Ën > 50 86 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000016ECBA67460, 16 bytes long.
Data: <(†¦Ën > 28 86 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000016ECBA67B90, 16 bytes long.
Data: < †¦Ën > 00 86 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016ECBA66B90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000016ECBA67BE0, 16 bytes long.
Data: <¸ ¦Ën > B8 0A A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000016ECBA61C40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000016ECBA67960, 16 bytes long.
Data: < ¦Ën > 90 0A A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016ECBA67FA0, 16 bytes long.
Data: <h ¦Ën > 68 0A A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016ECBA67DC0, 16 bytes long.
Data: <@ ¦Ën > 40 0A A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016ECBA67690, 16 bytes long.
Data: < ¦Ën > 18 0A A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016ECBA67CD0, 16 bytes long.
Data: <ð ¦Ën > F0 09 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016ECBA67B40, 16 bytes long.
Data: <È ¦Ën > C8 09 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016ECBA618E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000016ECBA67910, 16 bytes long.
Data: <  ¦Ën > A0 09 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016ECBA609A0, 320 bytes long.
Data: < y¦Ën à ¦Ën > 10 79 A6 CB 6E 01 00 00 E0 18 A6 CB 6E 01 00 00
{281} normal block at 0x0000016ECBA67370, 16 bytes long.
Data: <à…¦Ën > E0 85 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016ECBA67280, 16 bytes long.
Data: <¸…¦Ën > B8 85 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016ECBA61820, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000016ECBA67A50, 16 bytes long.
Data: < …¦Ën > 90 85 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016ECBA61580, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000016ECBA678C0, 16 bytes long.
Data: <Ø„¦Ën > D8 84 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016ECBA67D70, 16 bytes long.
Data: <°„¦Ën > B0 84 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016ECBA67C80, 16 bytes long.
Data: < „¦Ën > 88 84 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016ECBA67F00, 16 bytes long.
Data: <`„¦Ën > 60 84 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016ECBA67230, 16 bytes long.
Data: <8„¦Ën > 38 84 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016ECBA67AF0, 16 bytes long.
Data: < „¦Ën > 10 84 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016ECBA67E60, 16 bytes long.
Data: <Pm¦Ën > 50 6D A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016ECBA66D50, 40 bytes long.
Data: <`~¦Ën P~ Ín > 60 7E A6 CB 6E 01 00 00 50 7E 81 CD 6E 01 00 00
{267} normal block at 0x0000016ECBA68090, 16 bytes long.
Data: <ðƒ¦Ën > F0 83 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016ECBA67AA0, 16 bytes long.
Data: <ȃ¦Ën > C8 83 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016ECBA61880, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000016ECBA67640, 16 bytes long.
Data: < ƒ¦Ën > A0 83 A6 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016ECBA683A0, 992 bytes long.
Data: <@v¦Ën ¦Ën > 40 76 A6 CB 6E 01 00 00 80 18 A6 CB 6E 01 00 00
{99} normal block at 0x0000016ECBA61520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000016ECBA5EF10, 16 bytes long.
Data: < ϤËn > 20 CF A4 CB 6E 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000016ECBA4CF20, 40 bytes long.
Data: < ï¥Ën ¦Ën > 10 EF A5 CB 6E 01 00 00 20 15 A6 CB 6E 01 00 00
{76} normal block at 0x0000016ECBA5F7D0, 16 bytes long.
Data: < ê‡>÷ > 80 EA 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000016ECBA5F4B0, 16 bytes long.
Data: <@é‡>÷ > 40 E9 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000016ECBA5F730, 16 bytes long.
Data: <øW„>÷ > F8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000016ECBA5F000, 16 bytes long.
Data: <ØW„>÷ > D8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000016ECBA5F0F0, 16 bytes long.
Data: <P „>÷ > 50 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000016ECBA5EDD0, 16 bytes long.
Data: <0 „>÷ > 30 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000016ECBA5F190, 16 bytes long.
Data: <à „>÷ > E0 02 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000016ECBA5EFB0, 16 bytes long.
Data: < „>÷ > 10 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000016ECBA5F0A0, 16 bytes long.
Data: <p „>÷ > 70 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000016ECBA5EF60, 16 bytes long.
Data: < À‚>÷ > 18 C0 82 3E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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