Task 38662038
| Name | test_251-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8186_1 |
| Workunit | 31604660 |
| Created | 24 Oct 2026, 16:53:35 UTC |
| Sent | 24 Oct 2026, 17:41:28 UTC |
| Report deadline | 29 Oct 2026, 17:41:28 UTC |
| Received | 24 Oct 2026, 22:01:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 591854 |
| Run time | 32 min 19 sec |
| CPU time | 28 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,130.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 691.96 MB |
| Peak swap size | 3.93 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:43:54 (16348): wrapper (7.9.26016): starting
10:43:54 (16348): 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
10:43:56 (16348): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:43:56 (16348): 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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\4\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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\4\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
11:14:39 (16348): C:/Windows/system32/cmd.exe exited; CPU time 1685.765625
11:14:39 (16348): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 23216117 bytes.
Dumping objects ->
{3835275} normal block at 0x0000028A3D06E490, 64 bytes long.
Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69
{3835264} normal block at 0x0000028A3B49BF10, 48 bytes long.
Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69
{3835253} normal block at 0x0000028A3B49B9D0, 48 bytes long.
Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E
{3835242} normal block at 0x0000028A3B49BAB0, 48 bytes long.
Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69
{3835231} normal block at 0x0000028A3B49C220, 48 bytes long.
Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42
{3835200} normal block at 0x0000028A3D06E390, 64 bytes long.
Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69
{3835189} normal block at 0x0000028A3B4A2890, 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) : {3835186} normal block at 0x0000028A3B473140, 8 bytes long.
Data: < {;Š > 00 00 7B 3B 8A 02 00 00
{3834579} normal block at 0x0000028A3B4A3180, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833989} normal block at 0x0000028A3B472BF0, 8 bytes long.
Data: <°éT;Š > B0 E9 54 3B 8A 02 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000028A3B474E10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x0000028A3B468710, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{310} normal block at 0x0000028A3B478F60, 16 bytes long.
Data: < ”G;Š > 88 94 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x0000028A3B478F10, 16 bytes long.
Data: <`”G;Š > 60 94 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000028A3B46FD50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{307} normal block at 0x0000028A3B478420, 16 bytes long.
Data: <8”G;Š > 38 94 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x0000028A3B478330, 16 bytes long.
Data: < ”G;Š > 10 94 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000028A3B4782E0, 16 bytes long.
Data: <è“G;Š > E8 93 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000028A3B478EC0, 16 bytes long.
Data: <À“G;Š > C0 93 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000028A3B4738B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{302} normal block at 0x0000028A3B478290, 16 bytes long.
Data: < µF;Š > 98 B5 46 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000028A3B46FB10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{300} normal block at 0x0000028A3B478790, 16 bytes long.
Data: <pµF;Š > 70 B5 46 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000028A3B478600, 16 bytes long.
Data: <HµF;Š > 48 B5 46 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000028A3B4781A0, 16 bytes long.
Data: < µF;Š > 20 B5 46 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028A3B478E70, 16 bytes long.
Data: <ø´F;Š > F8 B4 46 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000028A3B478560, 16 bytes long.
Data: <дF;Š > D0 B4 46 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028A3B478380, 16 bytes long.
Data: <¨´F;Š > A8 B4 46 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028A3B470350, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{292} normal block at 0x0000028A3B4784C0, 16 bytes long.
Data: < ´F;Š > 80 B4 46 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028A3B46B480, 320 bytes long.
Data: <À„G;Š P G;Š > C0 84 47 3B 8A 02 00 00 50 03 47 3B 8A 02 00 00
{290} normal block at 0x0000028A3B4788D0, 16 bytes long.
Data: < “G;Š > A0 93 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028A3B478E20, 16 bytes long.
Data: <x“G;Š > 78 93 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028A3B46FDB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{287} normal block at 0x0000028A3B4790F0, 16 bytes long.
Data: <P“G;Š > 50 93 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028A3B46FB70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{285} normal block at 0x0000028A3B4790A0, 16 bytes long.
Data: < ’G;Š > 98 92 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028A3B478470, 16 bytes long.
Data: <p’G;Š > 70 92 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028A3B478D30, 16 bytes long.
Data: <H’G;Š > 48 92 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028A3B478240, 16 bytes long.
Data: < ’G;Š > 20 92 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028A3B478740, 16 bytes long.
Data: <ø‘G;Š > F8 91 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028A3B4786F0, 16 bytes long.
Data: <БG;Š > D0 91 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028A3B4785B0, 16 bytes long.
Data: <@?G;Š > 40 3F 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028A3B473F40, 40 bytes long.
Data: <°…G;Š ã =Š > B0 85 47 3B 8A 02 00 00 90 E3 06 3D 8A 02 00 00
{276} normal block at 0x0000028A3B478C90, 16 bytes long.
Data: <°‘G;Š > B0 91 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000028A3B4786A0, 16 bytes long.
Data: < ‘G;Š > 88 91 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028A3B4705F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{273} normal block at 0x0000028A3B479050, 16 bytes long.
Data: <`‘G;Š > 60 91 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028A3B479160, 992 bytes long.
Data: <P G;Š ð G;Š > 50 90 47 3B 8A 02 00 00 F0 05 47 3B 8A 02 00 00
{108} normal block at 0x0000028A3B470410, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{107} normal block at 0x0000028A3B472920, 16 bytes long.
Data: <À;G;Š > C0 3B 47 3B 8A 02 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x0000028A3B473BC0, 40 bytes long.
Data: < )G;Š G;Š > 20 29 47 3B 8A 02 00 00 10 04 47 3B 8A 02 00 00
{85} normal block at 0x0000028A3B4730A0, 16 bytes long.
Data: < êÃV÷ > 80 EA C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000028A3B473280, 16 bytes long.
Data: <@éÃV÷ > 40 E9 C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000028A3B473050, 16 bytes long.
Data: <øWÀV÷ > F8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000028A3B4728D0, 16 bytes long.
Data: <ØWÀV÷ > D8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000028A3B472E20, 16 bytes long.
Data: <P ÀV÷ > 50 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000028A3B472BA0, 16 bytes long.
Data: <0 ÀV÷ > 30 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000028A3B473500, 16 bytes long.
Data: <à ÀV÷ > E0 02 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000028A3B472CE0, 16 bytes long.
Data: < ÀV÷ > 10 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000028A3B473000, 16 bytes long.
Data: <p ÀV÷ > 70 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000028A3B472830, 16 bytes long.
Data: < À¾V÷ > 18 C0 BE 56 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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