Task 38659747
| Name | test_1673-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND8286_0 |
| Workunit | 31603287 |
| Created | 24 Oct 2026, 13:35:46 UTC |
| Sent | 24 Oct 2026, 16:16:06 UTC |
| Report deadline | 29 Oct 2026, 16:16:06 UTC |
| Received | 26 Oct 2026, 6:18:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 622645 |
| Run time | 17 min 8 sec |
| CPU time | 15 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 46,093.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.37 MB |
| Peak swap size | 6.98 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:13:02 (49668): wrapper (7.9.26016): starting
19:13:02 (49668): 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
19:13:03 (49668): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:13:03 (49668): 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
19:29:15 (49668): C:/Windows/system32/cmd.exe exited; CPU time 959.000000
19:29:15 (49668): 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: 20016139 bytes.
Dumping objects ->
{3835277} normal block at 0x0000025694BABA10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x0000025694BAB1C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x0000025694B84CF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835244} normal block at 0x0000025694B853F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x0000025694B85380, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835202} normal block at 0x000002569684B800, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000002569685F230, 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) : {3835188} normal block at 0x0000025694B7EE70, 8 bytes long.
Data: < ü”V > 00 00 FC 94 56 02 00 00
{3834570} normal block at 0x000002569685F4F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000025694B7F5A0, 8 bytes long.
Data: <pÚ¶”V > 70 DA B6 94 56 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025694B7DD20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025694B763B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000025694B85E00, 16 bytes long.
Data: <èk¸”V > E8 6B B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025694B862B0, 16 bytes long.
Data: <Àk¸”V > C0 6B B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025694B80450, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000025694B861C0, 16 bytes long.
Data: < k¸”V > 98 6B B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025694B85DB0, 16 bytes long.
Data: <pk¸”V > 70 6B B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025694B865D0, 16 bytes long.
Data: <Hk¸”V > 48 6B B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025694B85D10, 16 bytes long.
Data: < k¸”V > 20 6B B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025694B85310, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000025694B86170, 16 bytes long.
Data: <Èõ¶”V > C8 F5 B6 94 56 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025694B80390, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000025694B85CC0, 16 bytes long.
Data: < õ¶”V > A0 F5 B6 94 56 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025694B85C20, 16 bytes long.
Data: <xõ¶”V > 78 F5 B6 94 56 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025694B86670, 16 bytes long.
Data: <Põ¶”V > 50 F5 B6 94 56 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025694B86580, 16 bytes long.
Data: <(õ¶”V > 28 F5 B6 94 56 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025694B86530, 16 bytes long.
Data: < õ¶”V > 00 F5 B6 94 56 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025694B85BD0, 16 bytes long.
Data: <Øô¶”V > D8 F4 B6 94 56 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025694B80930, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000025694B86260, 16 bytes long.
Data: <°ô¶”V > B0 F4 B6 94 56 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025694B6F4B0, 320 bytes long.
Data: <`b¸”V 0 ¸”V > 60 62 B8 94 56 02 00 00 30 09 B8 94 56 02 00 00
{276} normal block at 0x0000025694B85B80, 16 bytes long.
Data: < k¸”V > 00 6B B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025694B85F40, 16 bytes long.
Data: <Øj¸”V > D8 6A B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025694B80330, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000025694B85AE0, 16 bytes long.
Data: <°j¸”V > B0 6A B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025694B7FE50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000025694B85EA0, 16 bytes long.
Data: <øi¸”V > F8 69 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025694B864E0, 16 bytes long.
Data: <Ði¸”V > D0 69 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025694B86490, 16 bytes long.
Data: <¨i¸”V > A8 69 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025694B85A90, 16 bytes long.
Data: < i¸”V > 80 69 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025694B85FE0, 16 bytes long.
Data: <Xi¸”V > 58 69 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025694B860D0, 16 bytes long.
Data: <0i¸”V > 30 69 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025694B85F90, 16 bytes long.
Data: <PQ¸”V > 50 51 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025694B85150, 40 bytes long.
Data: < _¸”V ¸„–V > 90 5F B8 94 56 02 00 00 00 B8 84 96 56 02 00 00
{262} normal block at 0x0000025694B85EF0, 16 bytes long.
Data: < i¸”V > 10 69 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025694B86440, 16 bytes long.
Data: <èh¸”V > E8 68 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025694B807B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000025694B86620, 16 bytes long.
Data: <Àh¸”V > C0 68 B8 94 56 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025694B868C0, 992 bytes long.
Data: < f¸”V ° ¸”V > 20 66 B8 94 56 02 00 00 B0 07 B8 94 56 02 00 00
{94} normal block at 0x0000025694B801B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000025694B7F140, 16 bytes long.
Data: <`趔V > 60 E8 B6 94 56 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000025694B6E860, 40 bytes long.
Data: <@ñ·”V ° ¸”V > 40 F1 B7 94 56 02 00 00 B0 01 B8 94 56 02 00 00
{71} normal block at 0x0000025694B7FAA0, 16 bytes long.
Data: < ꑯ÷ > 80 EA 91 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025694B7F870, 16 bytes long.
Data: <@鑯÷ > 40 E9 91 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025694B7FA50, 16 bytes long.
Data: <øWŽ¯÷ > F8 57 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025694B7EFB0, 16 bytes long.
Data: <ØWŽ¯÷ > D8 57 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025694B7FA00, 16 bytes long.
Data: <P Ž¯÷ > 50 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025694B7F690, 16 bytes long.
Data: <0 Ž¯÷ > 30 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025694B7F000, 16 bytes long.
Data: <à Ž¯÷ > E0 02 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025694B7F9B0, 16 bytes long.
Data: < Ž¯÷ > 10 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025694B7FC30, 16 bytes long.
Data: <p Ž¯÷ > 70 04 8E AF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025694B7EF60, 16 bytes long.
Data: < ÀŒ¯÷ > 18 C0 8C AF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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