Task 38662764
| Name | test_382-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1692_0 |
| Workunit | 31606002 |
| Created | 24 Oct 2026, 20:33:57 UTC |
| Sent | 24 Oct 2026, 20:34:05 UTC |
| Report deadline | 29 Oct 2026, 20:34:05 UTC |
| Received | 25 Oct 2026, 10:34:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643074 |
| Run time | 41 min 50 sec |
| CPU time | 34 min 58 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 | 697.63 MB |
| Peak swap size | 3.08 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:54:30 (28580): wrapper (7.9.26016): starting
10:54:30 (28580): 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
10:54:32 (28580): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:54:32 (28580): 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\3\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\3\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
11:34:26 (28580): C:/Windows/system32/cmd.exe exited; CPU time 2098.765625
11:34:26 (28580): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 37257007 bytes.
Dumping objects ->
{3835267} normal block at 0x0000028FC7C658A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x0000028FC7C657C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x0000028FC7C65670, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835234} normal block at 0x0000028FC7C65910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x0000028FC7C65980, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835192} normal block at 0x0000028FC990A350, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835181} normal block at 0x0000028FC991F470, 102 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) : {3835178} normal block at 0x0000028FC7C605C0, 8 bytes long.
Data: < ÃǏ > 00 00 C3 C7 8F 02 00 00
{3834559} normal block at 0x0000028FC991F7E0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000028FC7C60520, 8 bytes long.
Data: <@'ÆǏ > 40 27 C6 C7 8F 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000028FC7C60950, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028FC7C5CB30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000028FC7C66E10, 16 bytes long.
Data: <ØaÆǏ > D8 61 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028FC7C66FA0, 16 bytes long.
Data: <°aÆǏ > B0 61 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028FC7C5EBB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000028FC7C668C0, 16 bytes long.
Data: < aÆǏ > 88 61 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028FC7C66780, 16 bytes long.
Data: <`aÆǏ > 60 61 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028FC7C66D70, 16 bytes long.
Data: <8aÆǏ > 38 61 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028FC7C67270, 16 bytes long.
Data: < aÆǏ > 10 61 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028FC7C65600, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000028FC7C667D0, 16 bytes long.
Data: <X¼ÄǏ > 58 BC C4 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000028FC7C5EF10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000028FC7C66870, 16 bytes long.
Data: <0¼ÄǏ > 30 BC C4 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028FC7C66320, 16 bytes long.
Data: < ¼ÄǏ > 08 BC C4 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028FC7C67180, 16 bytes long.
Data: <à»ÄǏ > E0 BB C4 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028FC7C66DC0, 16 bytes long.
Data: <¸»ÄǏ > B8 BB C4 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028FC7C66910, 16 bytes long.
Data: < »ÄǏ > 90 BB C4 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028FC7C665A0, 16 bytes long.
Data: <h»ÄǏ > 68 BB C4 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028FC7C5EE50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000028FC7C66730, 16 bytes long.
Data: <@»ÄǏ > 40 BB C4 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000028FC7C4BB40, 320 bytes long.
Data: <0gÆǏ PîÅǏ > 30 67 C6 C7 8F 02 00 00 50 EE C5 C7 8F 02 00 00
{274} normal block at 0x0000028FC7C66CD0, 16 bytes long.
Data: <ð`ÆǏ > F0 60 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028FC7C666E0, 16 bytes long.
Data: <È`ÆǏ > C8 60 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028FC7C5E9D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000028FC7C66690, 16 bytes long.
Data: < `ÆǏ > A0 60 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000028FC7C5F690, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000028FC7C66640, 16 bytes long.
Data: <è_ÆǏ > E8 5F C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028FC7C66B90, 16 bytes long.
Data: <À_ÆǏ > C0 5F C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028FC7C665F0, 16 bytes long.
Data: < _ÆǏ > 98 5F C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028FC7C66D20, 16 bytes long.
Data: <p_ÆǏ > 70 5F C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028FC7C66C80, 16 bytes long.
Data: <H_ÆǏ > 48 5F C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028FC7C606B0, 16 bytes long.
Data: < _ÆǏ > 20 5F C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028FC7C60660, 16 bytes long.
Data: <@TÆǏ > 40 54 C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028FC7C65440, 40 bytes long.
Data: <` ÆǏ P£ ɏ > 60 06 C6 C7 8F 02 00 00 50 A3 90 C9 8F 02 00 00
{260} normal block at 0x0000028FC7C604D0, 16 bytes long.
Data: < _ÆǏ > 00 5F C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000028FC7C60430, 16 bytes long.
Data: <Ø^ÆǏ > D8 5E C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000028FC7C5EA30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000028FC7C602F0, 16 bytes long.
Data: <°^ÆǏ > B0 5E C6 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000028FC7C65EB0, 992 bytes long.
Data: <ð ÆǏ 0êÅǏ > F0 02 C6 C7 8F 02 00 00 30 EA C5 C7 8F 02 00 00
{92} normal block at 0x0000028FC7C5EC70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000028FC7C5FF80, 16 bytes long.
Data: <pÛÄǏ > 70 DB C4 C7 8F 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000028FC7C4DB70, 40 bytes long.
Data: < ÅǏ pìÅǏ > 80 FF C5 C7 8F 02 00 00 70 EC C5 C7 8F 02 00 00
{69} normal block at 0x0000028FC7C5FEE0, 16 bytes long.
Data: < êì ö > 80 EA EC 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000028FC7C5F990, 16 bytes long.
Data: <@éì ö > 40 E9 EC 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028FC7C5FC10, 16 bytes long.
Data: <øWé ö > F8 57 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028FC7C5F940, 16 bytes long.
Data: <ØWé ö > D8 57 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028FC7C5F850, 16 bytes long.
Data: <P é ö > 50 04 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028FC7C5F800, 16 bytes long.
Data: <0 é ö > 30 04 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000028FC7C60750, 16 bytes long.
Data: <à é ö > E0 02 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000028FC7C60160, 16 bytes long.
Data: < é ö > 10 04 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000028FC7C5FE90, 16 bytes long.
Data: <p é ö > 70 04 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000028FC7C5FAD0, 16 bytes long.
Data: < Àç ö > 18 C0 E7 03 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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