Task 38669037
| Name | test_650-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2597_1 |
| Workunit | 31611250 |
| Created | 25 Oct 2026, 13:26:25 UTC |
| Sent | 25 Oct 2026, 13:26:35 UTC |
| Report deadline | 30 Oct 2026, 13:26:35 UTC |
| Received | 25 Oct 2026, 22:39:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561610 |
| Run time | 42 min 35 sec |
| CPU time | 40 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 695.37 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
10:20:59 (263128): wrapper (7.9.26016): starting
10:20:59 (263128): 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
10:21:01 (263128): Library/usr/bin/tar.exe exited; CPU time 0.046875
10:21:01 (263128): 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\1\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\1\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) : {3835124} normal block at 0x00000287B804DD80, 8 bytes long.
Data: < W > 00 00 57 B8 87 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x00000287B8055930, 1080 bytes long.
Data: <x > 78 05 04 00 CD CD CD CD AC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000287B8052120, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:01:04 (288600): wrapper (7.9.26016): starting
18:01:04 (288600): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000017EC6C06BE0, 8 bytes long.
Data: < ~ > 00 00 F8 C6 7E 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000017EC6C07390, 1080 bytes long.
Data: < K P > CC 4B 04 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
18:25:45 (289456): wrapper (7.9.26016): starting
18:25:45 (289456): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\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
18:39:00 (289456): C:/Windows/system32/cmd.exe exited; CPU time 747.281250
18:39:00 (289456): 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: 15675926 bytes.
Dumping objects ->
{1555} normal block at 0x00000270242143D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1544} normal block at 0x0000027024214830, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x0000027024214980, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1522} normal block at 0x0000027024214A60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x00000270242147C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1480} normal block at 0x00000270242097D0, 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) : {1467} normal block at 0x0000027024216230, 8 bytes long.
Data: < $p > 00 00 1E 24 70 02 00 00
{308} normal block at 0x00000270242160A0, 8 bytes long.
Data: < s!$p > 90 73 21 24 70 02 00 00
{299} normal block at 0x0000027024206630, 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 0x0000027024216820, 16 bytes long.
Data: < r!$p > 98 72 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000270242169B0, 16 bytes long.
Data: <pr!$p > 70 72 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000027024210330, 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 0x0000027024216AF0, 16 bytes long.
Data: <Hr!$p > 48 72 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027024216CD0, 16 bytes long.
Data: < r!$p > 20 72 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000027024216050, 16 bytes long.
Data: < q!$p > F8 71 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000270242167D0, 16 bytes long.
Data: < q!$p > D0 71 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000270242149F0, 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 0x0000027024216C80, 16 bytes long.
Data: <X $p > 58 BB 1F 24 70 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002702420F910, 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 0x0000027024216960, 16 bytes long.
Data: <0 $p > 30 BB 1F 24 70 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027024216140, 16 bytes long.
Data: < $p > 08 BB 1F 24 70 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000270242162D0, 16 bytes long.
Data: < $p > E0 BA 1F 24 70 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027024216780, 16 bytes long.
Data: < $p > B8 BA 1F 24 70 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000270242165A0, 16 bytes long.
Data: < $p > 90 BA 1F 24 70 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027024216550, 16 bytes long.
Data: <h $p > 68 BA 1F 24 70 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027024210750, 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 0x0000027024216370, 16 bytes long.
Data: <@ $p > 40 BA 1F 24 70 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000270241FBA40, 320 bytes long.
Data: <pc!$p P !$p > 70 63 21 24 70 02 00 00 50 07 21 24 70 02 00 00
{278} normal block at 0x0000027024216640, 16 bytes long.
Data: < q!$p > B0 71 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027024216AA0, 16 bytes long.
Data: < q!$p > 88 71 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000270242105D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000027024216E10, 16 bytes long.
Data: <`q!$p > 60 71 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000270242104B0, 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 0x0000027024216910, 16 bytes long.
Data: < p!$p > A8 70 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027024216C30, 16 bytes long.
Data: < p!$p > 80 70 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027024216000, 16 bytes long.
Data: <Xp!$p > 58 70 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027024216A50, 16 bytes long.
Data: <0p!$p > 30 70 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000270242164B0, 16 bytes long.
Data: < p!$p > 08 70 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000270242161E0, 16 bytes long.
Data: < o!$p > E0 6F 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027024216500, 16 bytes long.
Data: < E!$p > 20 45 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027024214520, 40 bytes long.
Data: < e!$p $p > 00 65 21 24 70 02 00 00 D0 97 20 24 70 02 00 00
{264} normal block at 0x00000270242168C0, 16 bytes long.
Data: < o!$p > C0 6F 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027024216190, 16 bytes long.
Data: < o!$p > 98 6F 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027024210570, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000027024216280, 16 bytes long.
Data: <po!$p > 70 6F 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027024216F70, 992 bytes long.
Data: < b!$p p !$p > 80 62 21 24 70 02 00 00 70 05 21 24 70 02 00 00
{96} normal block at 0x0000027024210690, 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 0x000002702420E010, 16 bytes long.
Data: <`C!$p > 60 43 21 24 70 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000027024214360, 40 bytes long.
Data: < $p !$p > 10 E0 20 24 70 02 00 00 90 06 21 24 70 02 00 00
{73} normal block at 0x000002702420DE80, 16 bytes long.
Data: < XA > 80 EA 58 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002702420DB60, 16 bytes long.
Data: <@ XA > 40 E9 58 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002702420E470, 16 bytes long.
Data: < WUA > F8 57 55 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002702420DBB0, 16 bytes long.
Data: < WUA > D8 57 55 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002702420DD90, 16 bytes long.
Data: <P UA > 50 04 55 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002702420D980, 16 bytes long.
Data: <0 UA > 30 04 55 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002702420DA20, 16 bytes long.
Data: < UA > E0 02 55 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002702420DC00, 16 bytes long.
Data: < UA > 10 04 55 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002702420E2E0, 16 bytes long.
Data: <p UA > 70 04 55 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002702420DF70, 16 bytes long.
Data: < SA > 18 C0 53 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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