Task 38696877
| Name | test_317-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5431_0 |
| Workunit | 31637492 |
| Created | 1 Nov 2026, 5:50:03 UTC |
| Sent | 1 Nov 2026, 5:50:11 UTC |
| Report deadline | 6 Nov 2026, 5:50:11 UTC |
| Received | 1 Nov 2026, 7:00:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 591223 |
| Run time | 1 hours 8 min 5 sec |
| CPU time | 1 hours 4 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,066.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 666.74 MB |
| Peak swap size | 6.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:53:40 (1828): wrapper (7.9.26016): starting
01:53:40 (1828): 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
01:53:45 (1828): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:53:45 (1828): 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\2\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\2\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
01:59:29 (1828): C:/Windows/system32/cmd.exe exited; CPU time 3880.437500
01:59:29 (1828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 87673663 bytes.
Dumping objects ->
{3835243} normal block at 0x000001B2B542C060, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x000001B2B542C610, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835221} normal block at 0x000001B2B542CD80, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835210} normal block at 0x000001B2B542C1B0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x000001B2B542CC30, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835168} normal block at 0x000001B2B542BCE0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835157} normal block at 0x000001B2B545D270, 135 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) : {3835154} normal block at 0x000001B2B53FE8F0, 8 bytes long.
Data: < ƒµ² > 00 00 83 B5 B2 01 00 00
{3834554} normal block at 0x000001B2B545CB20, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000001B2B53FDC70, 8 bytes long.
Data: <PA ·² > 50 41 1E B7 B2 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B2B53F5F10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B2B53F6A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001B2B5405BA0, 16 bytes long.
Data: <(e@µ² > 28 65 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B2B54055B0, 16 bytes long.
Data: < e@µ² > 00 65 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B2B5400210, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001B2B5405B00, 16 bytes long.
Data: <Ød@µ² > D8 64 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B2B5405AB0, 16 bytes long.
Data: <°d@µ² > B0 64 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B2B5405F60, 16 bytes long.
Data: < d@µ² > 88 64 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B2B5406140, 16 bytes long.
Data: <`d@µ² > 60 64 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B2B5403B40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001B2B5405D30, 16 bytes long.
Data: <XÌ>µ² > 58 CC 3E B5 B2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B2B54000F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001B2B5405E20, 16 bytes long.
Data: <0Ì>µ² > 30 CC 3E B5 B2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B2B54053D0, 16 bytes long.
Data: < Ì>µ² > 08 CC 3E B5 B2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B2B54059C0, 16 bytes long.
Data: <àË>µ² > E0 CB 3E B5 B2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B2B5405CE0, 16 bytes long.
Data: <¸Ë>µ² > B8 CB 3E B5 B2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B2B5405D80, 16 bytes long.
Data: < Ë>µ² > 90 CB 3E B5 B2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B2B5405290, 16 bytes long.
Data: <hË>µ² > 68 CB 3E B5 B2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B2B53FFB50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001B2B5405B50, 16 bytes long.
Data: <@Ë>µ² > 40 CB 3E B5 B2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B2B53ECB40, 320 bytes long.
Data: <P[@µ² Pû?µ² > 50 5B 40 B5 B2 01 00 00 50 FB 3F B5 B2 01 00 00
{278} normal block at 0x000001B2B5405DD0, 16 bytes long.
Data: <@d@µ² > 40 64 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B2B5405970, 16 bytes long.
Data: < d@µ² > 18 64 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B2B54001B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001B2B5405F10, 16 bytes long.
Data: <ðc@µ² > F0 63 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B2B53FFAF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001B2B5405FB0, 16 bytes long.
Data: <8c@µ² > 38 63 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B2B5405240, 16 bytes long.
Data: < c@µ² > 10 63 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B2B54058D0, 16 bytes long.
Data: <èb@µ² > E8 62 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B2B5405A60, 16 bytes long.
Data: <Àb@µ² > C0 62 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B2B5405560, 16 bytes long.
Data: < b@µ² > 98 62 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B2B5405A10, 16 bytes long.
Data: <pb@µ² > 70 62 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B2B5405510, 16 bytes long.
Data: <P>@µ² > 50 3E 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B2B5403E50, 40 bytes long.
Data: < U@µ² à¼Bµ² > 10 55 40 B5 B2 01 00 00 E0 BC 42 B5 B2 01 00 00
{264} normal block at 0x000001B2B5405EC0, 16 bytes long.
Data: <Pb@µ² > 50 62 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B2B54054C0, 16 bytes long.
Data: <(b@µ² > 28 62 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B2B5400450, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001B2B5405920, 16 bytes long.
Data: < b@µ² > 00 62 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B2B5406200, 992 bytes long.
Data: < Y@µ² P @µ² > 20 59 40 B5 B2 01 00 00 50 04 40 B5 B2 01 00 00
{96} normal block at 0x000001B2B5400630, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001B2B53FE030, 16 bytes long.
Data: <À>@µ² > C0 3E 40 B5 B2 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001B2B5403EC0, 40 bytes long.
Data: <0à?µ² 0 @µ² > 30 E0 3F B5 B2 01 00 00 30 06 40 B5 B2 01 00 00
{73} normal block at 0x000001B2B53FDD10, 16 bytes long.
Data: < ê÷'ö > 80 EA F7 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B2B53FE120, 16 bytes long.
Data: <@é÷'ö > 40 E9 F7 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B2B53FDEA0, 16 bytes long.
Data: <øWô'ö > F8 57 F4 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B2B53FDF90, 16 bytes long.
Data: <ØWô'ö > D8 57 F4 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B2B53FE440, 16 bytes long.
Data: <P ô'ö > 50 04 F4 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B2B53FE850, 16 bytes long.
Data: <0 ô'ö > 30 04 F4 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B2B53FDF40, 16 bytes long.
Data: <à ô'ö > E0 02 F4 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B2B53FE3F0, 16 bytes long.
Data: < ô'ö > 10 04 F4 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B2B53FDB80, 16 bytes long.
Data: <p ô'ö > 70 04 F4 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B2B53FDAE0, 16 bytes long.
Data: < Àò'ö > 18 C0 F2 27 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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