Task 38684337
| Name | test_308-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3323_1 |
| Workunit | 31625832 |
| Created | 27 Oct 2026, 15:53:50 UTC |
| Sent | 27 Oct 2026, 15:53:57 UTC |
| Report deadline | 1 Nov 2026, 15:53:57 UTC |
| Received | 27 Oct 2026, 16:53:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644675 |
| Run time | 28 min 29 sec |
| CPU time | 23 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.50 MB |
| Peak swap size | 10.04 GB |
| Peak disk usage | 4.13 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:23:38 (56908): wrapper (7.9.26016): starting
12:23:38 (56908): 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
12:23:40 (56908): Library/usr/bin/tar.exe exited; CPU time 0.031250
12:23:40 (56908): 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\8\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\8\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
12:50:57 (56908): C:/Windows/system32/cmd.exe exited; CPU time 1391.265625
12:50:57 (56908): 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: 44204319 bytes.
Dumping objects ->
{3835602} normal block at 0x0000019202C39E50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835591} normal block at 0x0000019202C3A4E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835580} normal block at 0x0000019202C3A470, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835569} normal block at 0x0000019200FB6AE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x0000019200FB6840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835527} normal block at 0x0000019202BEB650, 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) : {3835514} normal block at 0x0000019200FAC9B0, 8 bytes long.
Data: < ó ’ > 00 00 F3 00 92 01 00 00
{3833973} normal block at 0x0000019200FAC5F0, 8 bytes long.
Data: < éù ’ > 90 E9 F9 00 92 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000019200FB2C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000019200FA86D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x0000019200FB8330, 16 bytes long.
Data: <8Šû ’ > 38 8A FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000019200FB7930, 16 bytes long.
Data: < Šû ’ > 10 8A FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000019200FB0610, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x0000019200FB78E0, 16 bytes long.
Data: <è‰û ’ > E8 89 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019200FB7FC0, 16 bytes long.
Data: <À‰û ’ > C0 89 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019200FB8470, 16 bytes long.
Data: < ‰û ’ > 98 89 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019200FB82E0, 16 bytes long.
Data: <p‰û ’ > 70 89 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019200FB68B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x0000019200FB7A20, 16 bytes long.
Data: < ú ’ > 18 05 FA 00 92 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019200FB0F70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x0000019200FB7CF0, 16 bytes long.
Data: <ð ú ’ > F0 04 FA 00 92 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019200FB79D0, 16 bytes long.
Data: <È ú ’ > C8 04 FA 00 92 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019200FB7DE0, 16 bytes long.
Data: <  ú ’ > A0 04 FA 00 92 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019200FB77A0, 16 bytes long.
Data: <x ú ’ > 78 04 FA 00 92 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019200FB7E30, 16 bytes long.
Data: <P ú ’ > 50 04 FA 00 92 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019200FB7F70, 16 bytes long.
Data: <( ú ’ > 28 04 FA 00 92 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019200FB0E50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x0000019200FB7B60, 16 bytes long.
Data: < ú ’ > 00 04 FA 00 92 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019200FA0400, 320 bytes long.
Data: <`{û ’ P û ’ > 60 7B FB 00 92 01 00 00 50 0E FB 00 92 01 00 00
{282} normal block at 0x0000019200FB7B10, 16 bytes long.
Data: <P‰û ’ > 50 89 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019200FB7890, 16 bytes long.
Data: <(‰û ’ > 28 89 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019200FB0430, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x0000019200FB8600, 16 bytes long.
Data: < ‰û ’ > 00 89 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019200FB0F10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x0000019200FB7AC0, 16 bytes long.
Data: <H û ’ > 48 88 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019200FB7980, 16 bytes long.
Data: < û ’ > 20 88 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019200FB85B0, 16 bytes long.
Data: <ø‡û ’ > F8 87 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019200FB8060, 16 bytes long.
Data: <Їû ’ > D0 87 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019200FB8380, 16 bytes long.
Data: <¨‡û ’ > A8 87 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019200FB80B0, 16 bytes long.
Data: < ‡û ’ > 80 87 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019200FB8290, 16 bytes long.
Data: <Àkû ’ > C0 6B FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019200FB6BC0, 40 bytes long.
Data: < ‚û ’ P¶¾ ’ > 90 82 FB 00 92 01 00 00 50 B6 BE 02 92 01 00 00
{268} normal block at 0x0000019200FB77F0, 16 bytes long.
Data: <`‡û ’ > 60 87 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019200FB7840, 16 bytes long.
Data: <8‡û ’ > 38 87 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019200FB0730, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x0000019200FB7C50, 16 bytes long.
Data: < ‡û ’ > 10 87 FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019200FB8710, 992 bytes long.
Data: <P|û ’ 0 û ’ > 50 7C FB 00 92 01 00 00 30 07 FB 00 92 01 00 00
{100} normal block at 0x0000019200FB07F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x0000019200FAC460, 16 bytes long.
Data: < lû ’ > A0 6C FB 00 92 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000019200FB6CA0, 40 bytes long.
Data: <`Äú ’ ð û ’ > 60 C4 FA 00 92 01 00 00 F0 07 FB 00 92 01 00 00
{77} normal block at 0x0000019200FAC8C0, 16 bytes long.
Data: < êd]ö > 80 EA 64 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000019200FABD30, 16 bytes long.
Data: <@éd]ö > 40 E9 64 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000019200FAC0F0, 16 bytes long.
Data: <øWa]ö > F8 57 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000019200FAC3C0, 16 bytes long.
Data: <ØWa]ö > D8 57 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019200FAC280, 16 bytes long.
Data: <P a]ö > 50 04 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019200FAC140, 16 bytes long.
Data: <0 a]ö > 30 04 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019200FABE70, 16 bytes long.
Data: <à a]ö > E0 02 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019200FAC230, 16 bytes long.
Data: < a]ö > 10 04 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019200FABEC0, 16 bytes long.
Data: <p a]ö > 70 04 61 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019200FAC1E0, 16 bytes long.
Data: < À_]ö > 18 C0 5F 5D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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