Task 38686113
| Name | test_692-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3496_0 |
| Workunit | 31627555 |
| Created | 28 Oct 2026, 0:44:02 UTC |
| Sent | 28 Oct 2026, 0:44:09 UTC |
| Report deadline | 2 Nov 2026, 0:44:09 UTC |
| Received | 28 Oct 2026, 1:30:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 559474 |
| Run time | 33 min 57 sec |
| CPU time | 31 min 15 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,142.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.07 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:46:23 (20492): wrapper (7.9.26016): starting
17:46:23 (20492): 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
17:46:25 (20492): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:46:25 (20492): 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 'E:\ProgramData\BOINC\slots\17\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 'E:\ProgramData\BOINC\slots\17\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835119} normal block at 0x0000029929D467A0, 8 bytes long.
Data: < j+ > 00 00 6A 2B 99 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x000002992B9D5050, 1080 bytes long.
Data: <\ H > 5C 01 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000029929D4FF60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:23:05 (27616): wrapper (7.9.26016): starting
18:23:05 (27616): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\ProgramData\BOINC\slots\17\tmp already exists.
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
18:29:47 (27616): C:/Windows/system32/cmd.exe exited; CPU time 362.656250
18:29:47 (27616): 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: 7930843 bytes.
Dumping objects ->
{1555} normal block at 0x000002450249B330, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1544} normal block at 0x000002450249B1E0, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x000002450249B4F0, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{1522} normal block at 0x000002450249B800, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x000002450249B870, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{1480} normal block at 0x000002450248AF70, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000245024A1290, 8 bytes long.
Data: < E > 00 00 E7 03 45 02 00 00
{303} normal block at 0x00000245024A1970, 8 bytes long.
Data: <P8J E > 50 38 4A 02 45 02 00 00
{294} normal block at 0x00000245024A0F60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000245024A18D0, 16 bytes long.
Data: <X7J E > 58 37 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000245024A1880, 16 bytes long.
Data: <07J E > 30 37 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002450249D540, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000245024A1DD0, 16 bytes long.
Data: < 7J E > 08 37 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000245024A1CE0, 16 bytes long.
Data: < 6J E > E0 36 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000245024A1C90, 16 bytes long.
Data: < 6J E > B8 36 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000245024A1740, 16 bytes long.
Data: < 6J E > 90 36 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002450249B790, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000245024A16F0, 16 bytes long.
Data: < J E > F8 0E 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002450249D720, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000245024A1A60, 16 bytes long.
Data: < J E > D0 0E 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000245024A1650, 16 bytes long.
Data: < J E > A8 0E 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000245024A11F0, 16 bytes long.
Data: < J E > 80 0E 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000245024A19C0, 16 bytes long.
Data: <X J E > 58 0E 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000245024A10B0, 16 bytes long.
Data: <0 J E > 30 0E 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000245024A17E0, 16 bytes long.
Data: < J E > 08 0E 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002450249CA60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000245024A1BF0, 16 bytes long.
Data: < J E > E0 0D 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000245024A0DE0, 320 bytes long.
Data: < J E ` I E > F0 1B 4A 02 45 02 00 00 60 CA 49 02 45 02 00 00
{273} normal block at 0x00000245024A1BA0, 16 bytes long.
Data: <p6J E > 70 36 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000245024A15B0, 16 bytes long.
Data: <H6J E > 48 36 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002450249D420, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000245024A1560, 16 bytes long.
Data: < 6J E > 20 36 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002450249CFA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000245024A1060, 16 bytes long.
Data: <h5J E > 68 35 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000245024A16A0, 16 bytes long.
Data: <@5J E > 40 35 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000245024A1510, 16 bytes long.
Data: < 5J E > 18 35 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000245024A1FB0, 16 bytes long.
Data: < 4J E > F0 34 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000245024A11A0, 16 bytes long.
Data: < 4J E > C8 34 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000245024A1F60, 16 bytes long.
Data: < 4J E > A0 34 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000245024A1920, 16 bytes long.
Data: < I E > A0 B3 49 02 45 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002450249B3A0, 40 bytes long.
Data: < J E p H E > 20 19 4A 02 45 02 00 00 70 AF 48 02 45 02 00 00
{259} normal block at 0x00000245024A1420, 16 bytes long.
Data: < 4J E > 80 34 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000245024A1600, 16 bytes long.
Data: <X4J E > 58 34 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002450249CAC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000245024A1790, 16 bytes long.
Data: <04J E > 30 34 4A 02 45 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000245024A3430, 992 bytes long.
Data: < J E I E > 90 17 4A 02 45 02 00 00 C0 CA 49 02 45 02 00 00
{91} normal block at 0x000002450249D6C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000024502496770, 16 bytes long.
Data: < I E > 20 B7 49 02 45 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002450249B720, 40 bytes long.
Data: <pgI E I E > 70 67 49 02 45 02 00 00 C0 D6 49 02 45 02 00 00
{68} normal block at 0x0000024502496900, 16 bytes long.
Data: < y > 80 EA DE 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024502496450, 16 bytes long.
Data: <@ y > 40 E9 DE 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024502496DB0, 16 bytes long.
Data: < W y > F8 57 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000245024970D0, 16 bytes long.
Data: < W y > D8 57 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024502496630, 16 bytes long.
Data: <P y > 50 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024502497210, 16 bytes long.
Data: <0 y > 30 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024502497170, 16 bytes long.
Data: < y > E0 02 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000245024972B0, 16 bytes long.
Data: < y > 10 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024502497080, 16 bytes long.
Data: <p y > 70 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024502496C70, 16 bytes long.
Data: < y > 18 C0 D9 79 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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