Task 38699554
| Name | test_567-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2937_0 |
| Workunit | 31639944 |
| Created | 4 Nov 2026, 15:33:20 UTC |
| Sent | 4 Nov 2026, 15:33:24 UTC |
| Report deadline | 9 Nov 2026, 15:33:24 UTC |
| Received | 6 Nov 2026, 9:12:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655048 |
| Run time | 1 hours 9 min 32 sec |
| CPU time | 1 hours 5 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 648.90 MB |
| Peak swap size | 2.30 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:23:46 (9580): wrapper (7.9.26016): starting
19:23:46 (9580): 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
19:23:48 (9580): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:23:48 (9580): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835095} normal block at 0x0000029A4EAA6160, 8 bytes long.
Data: < N > 00 00 A3 4E 9A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x0000029A50611890, 1080 bytes long.
Data: < ! > E4 21 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000029A4EAB35B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:24:39 (10224): wrapper (7.9.26016): starting
09:24:39 (10224): 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\0\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
10:11:53 (10224): C:/Windows/system32/cmd.exe exited; CPU time 2653.421875
10:11:53 (10224): 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: 32373916 bytes.
Dumping objects ->
{1533} normal block at 0x000002031E2DA300, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1522} normal block at 0x000002031E2DA680, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x000002031E2DA3E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1500} normal block at 0x000002031E2DA5A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1489} normal block at 0x000002031E2DA8B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1458} normal block at 0x000002031E2E1BA0, 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) : {1445} normal block at 0x000002031E2E1D90, 8 bytes long.
Data: < > 00 00 C9 1F 03 02 00 00
{301} normal block at 0x000002031E2E2830, 8 bytes long.
Data: <02. > 30 32 2E 1E 03 02 00 00
{292} normal block at 0x000002031E2C63E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002031E2E1E30, 16 bytes long.
Data: <81. > 38 31 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002031E2E2790, 16 bytes long.
Data: < 1. > 10 31 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002031E2DB7C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002031E2E1DE0, 16 bytes long.
Data: < 0. > E8 30 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002031E2E1CF0, 16 bytes long.
Data: < 0. > C0 30 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002031E2E2290, 16 bytes long.
Data: < 0. > 98 30 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002031E2E1D40, 16 bytes long.
Data: <p0. > 70 30 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002031E2DA290, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002031E2E1CA0, 16 bytes long.
Data: <8 . > 38 1B 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002031E2DC2A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002031E2E25B0, 16 bytes long.
Data: < . > 10 1B 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002031E2E2A60, 16 bytes long.
Data: < . > E8 1A 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002031E2E1F20, 16 bytes long.
Data: < . > C0 1A 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002031E2E2A10, 16 bytes long.
Data: < . > 98 1A 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002031E2E2740, 16 bytes long.
Data: <p . > 70 1A 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002031E2E2240, 16 bytes long.
Data: <H . > 48 1A 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002031E2DC600, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002031E2E26A0, 16 bytes long.
Data: < . > 20 1A 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002031E2E1A20, 320 bytes long.
Data: < &. - > A0 26 2E 1E 03 02 00 00 00 C6 2D 1E 03 02 00 00
{271} normal block at 0x000002031E2E2BA0, 16 bytes long.
Data: <P0. > 50 30 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002031E2E2B50, 16 bytes long.
Data: <(0. > 28 30 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002031E2DBFA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002031E2E29C0, 16 bytes long.
Data: < 0. > 00 30 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002031E2DBDC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002031E2E27E0, 16 bytes long.
Data: <H/. > 48 2F 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002031E2E2BF0, 16 bytes long.
Data: < /. > 20 2F 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002031E2E1ED0, 16 bytes long.
Data: < .. > F8 2E 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002031E2E2AB0, 16 bytes long.
Data: < .. > D0 2E 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002031E2E2560, 16 bytes long.
Data: < .. > A8 2E 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002031E2E21A0, 16 bytes long.
Data: < .. > 80 2E 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002031E2E2970, 16 bytes long.
Data: < - > 10 A6 2D 1E 03 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002031E2DA610, 40 bytes long.
Data: <p). . > 70 29 2E 1E 03 02 00 00 A0 1B 2E 1E 03 02 00 00
{257} normal block at 0x000002031E2E2B00, 16 bytes long.
Data: <`.. > 60 2E 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002031E2E2920, 16 bytes long.
Data: <8.. > 38 2E 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002031E2DC5A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002031E2E26F0, 16 bytes long.
Data: < .. > 10 2E 2E 1E 03 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002031E2E2E10, 992 bytes long.
Data: < &. - > F0 26 2E 1E 03 02 00 00 A0 C5 2D 1E 03 02 00 00
{89} normal block at 0x000002031E2DC0C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002031E2D5B00, 16 bytes long.
Data: <@ - > 40 A8 2D 1E 03 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002031E2DA840, 40 bytes long.
Data: < [- - > 00 5B 2D 1E 03 02 00 00 C0 C0 2D 1E 03 02 00 00
{66} normal block at 0x000002031E2D5E70, 16 bytes long.
Data: < ? > 80 EA A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002031E2D5D80, 16 bytes long.
Data: <@ ? > 40 E9 A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002031E2D5420, 16 bytes long.
Data: < W ? > F8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002031E2D58D0, 16 bytes long.
Data: < W ? > D8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002031E2D5880, 16 bytes long.
Data: <P ? > 50 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002031E2D55B0, 16 bytes long.
Data: <0 ? > 30 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002031E2D5A60, 16 bytes long.
Data: < ? > E0 02 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002031E2D5AB0, 16 bytes long.
Data: < ? > 10 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002031E2D6370, 16 bytes long.
Data: <p ? > 70 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002031E2D5830, 16 bytes long.
Data: < ? > 18 C0 9D 3F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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