Task 38648446
| Name | test_256-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND5326_0 |
| Workunit | 31593148 |
| Created | 23 Oct 2026, 20:41:32 UTC |
| Sent | 24 Oct 2026, 1:35:48 UTC |
| Report deadline | 29 Oct 2026, 1:35:48 UTC |
| Received | 24 Oct 2026, 2:10:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642350 |
| Run time | 23 min 50 sec |
| CPU time | 22 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,408.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.73 MB |
| Peak swap size | 9.88 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:47:09 (369260): wrapper (7.9.26016): starting
20:47:09 (369260): 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
20:47:10 (369260): Library/usr/bin/tar.exe exited; CPU time 0.031250
20:47:10 (369260): 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
21:09:42 (369260): C:/Windows/system32/cmd.exe exited; CPU time 1321.234375
21:09:42 (369260): 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: 29968351 bytes.
Dumping objects ->
{3835248} normal block at 0x000002AAE87E7A20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x000002AAE87E7320, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000002AAE87E7B70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835215} normal block at 0x000002AAE87E7550, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x000002AAE87E7B00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835173} normal block at 0x000002AAE870BB80, 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) : {3835160} normal block at 0x000002AAE685D440, 8 bytes long.
Data: < Ýæª > 00 00 DD E6 AA 02 00 00
{3833959} normal block at 0x000002AAE685D9E0, 8 bytes long.
Data: < Q æª > 80 51 88 E6 AA 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002AAE683A720, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002AAE683C0F0, 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 0x000002AAE685DC10, 16 bytes long.
Data: <ø¾…æª > F8 BE 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002AAE685DE90, 16 bytes long.
Data: <о…æª > D0 BE 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002AAE685E140, 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 0x000002AAE685DB20, 16 bytes long.
Data: <¨¾…æª > A8 BE 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002AAE685DA80, 16 bytes long.
Data: < ¾…æª > 80 BE 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002AAE685DAD0, 16 bytes long.
Data: <X¾…æª > 58 BE 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002AAE685DA30, 16 bytes long.
Data: <0¾…æª > 30 BE 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002AAE6855EF0, 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 0x000002AAE685DE40, 16 bytes long.
Data: <øl…æª > F8 6C 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002AAE685E8C0, 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 0x000002AAE685D8A0, 16 bytes long.
Data: <Ðl…æª > D0 6C 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002AAE685D6C0, 16 bytes long.
Data: <¨l…æª > A8 6C 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AAE685DD50, 16 bytes long.
Data: < l…æª > 80 6C 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002AAE685D990, 16 bytes long.
Data: <Xl…æª > 58 6C 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002AAE685D620, 16 bytes long.
Data: <0l…æª > 30 6C 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002AAE685D3F0, 16 bytes long.
Data: < l…æª > 08 6C 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002AAE685E500, 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 0x000002AAE685D580, 16 bytes long.
Data: <àk…æª > E0 6B 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002AAE6856BE0, 320 bytes long.
Data: < Õ…æª å…æª > 80 D5 85 E6 AA 02 00 00 00 E5 85 E6 AA 02 00 00
{275} normal block at 0x000002AAE685D850, 16 bytes long.
Data: < ¾…æª > 10 BE 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002AAE685D260, 16 bytes long.
Data: <è½…æª > E8 BD 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002AAE685E740, 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 0x000002AAE685D3A0, 16 bytes long.
Data: <À½…æª > C0 BD 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002AAE685E2C0, 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 0x000002AAE685D670, 16 bytes long.
Data: < ½…æª > 08 BD 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002AAE685D530, 16 bytes long.
Data: <à¼…æª > E0 BC 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002AAE685D1C0, 16 bytes long.
Data: <¸¼…æª > B8 BC 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002AAE685D800, 16 bytes long.
Data: < ¼…æª > 90 BC 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002AAE685DB70, 16 bytes long.
Data: <h¼…æª > 68 BC 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002AAE685D170, 16 bytes long.
Data: <@¼…æª > 40 BC 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002AAE685D4E0, 16 bytes long.
Data: <`_…æª > 60 5F 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002AAE6855F60, 40 bytes long.
Data: <àÔ…æª »pèª > E0 D4 85 E6 AA 02 00 00 80 BB 70 E8 AA 02 00 00
{261} normal block at 0x000002AAE685E020, 16 bytes long.
Data: < ¼…æª > 20 BC 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002AAE685D120, 16 bytes long.
Data: <ø»…æª > F8 BB 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002AAE68434A0, 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 0x000002AAE685D350, 16 bytes long.
Data: <л…æª > D0 BB 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002AAE685BBD0, 992 bytes long.
Data: <PÓ…æª  4„æª > 50 D3 85 E6 AA 02 00 00 A0 34 84 E6 AA 02 00 00
{93} normal block at 0x000002AAE6842D80, 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 0x000002AAE6848E50, 16 bytes long.
Data: < a…æª > 90 61 85 E6 AA 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002AAE6856190, 40 bytes long.
Data: <PŽ„æª -„æª > 50 8E 84 E6 AA 02 00 00 80 2D 84 E6 AA 02 00 00
{70} normal block at 0x000002AAE6849D00, 16 bytes long.
Data: < êÿšö > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002AAE6848E00, 16 bytes long.
Data: <@éÿšö > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002AAE6849620, 16 bytes long.
Data: <øWüšö > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002AAE6849C60, 16 bytes long.
Data: <ØWüšö > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002AAE68495D0, 16 bytes long.
Data: <P üšö > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002AAE6849C10, 16 bytes long.
Data: <0 üšö > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002AAE6849530, 16 bytes long.
Data: <à üšö > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002AAE6848EA0, 16 bytes long.
Data: < üšö > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002AAE6849BC0, 16 bytes long.
Data: <p üšö > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002AAE68494E0, 16 bytes long.
Data: < Àúšö > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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