Task 38674633
| Name | test_428-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND8580_0 |
| Workunit | 31616663 |
| Created | 26 Oct 2026, 5:52:39 UTC |
| Sent | 26 Oct 2026, 5:52:51 UTC |
| Report deadline | 31 Oct 2026, 5:52:51 UTC |
| Received | 26 Oct 2026, 9:16:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653612 |
| Run time | 1 hours 28 min 59 sec |
| CPU time | 1 hours 21 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,141.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 645.56 MB |
| Peak swap size | 2.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:50:53 (9736): wrapper (7.9.26016): starting
14:50:53 (9736): 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
14:51:18 (9736): Library/usr/bin/tar.exe exited; CPU time 0.078125
14:51:18 (9736): 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) : {3835437} normal block at 0x000002388C280630, 8 bytes long.
Data: < 8 > 00 00 D3 8D 38 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834052} normal block at 0x000002388E314BC0, 1080 bytes long.
Data: <` > 60 1D 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002388C27ECF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:51:58 (2416): wrapper (7.9.26016): starting
16:51:58 (2416): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
¤l¥Ø¿ý©ÎÀÉ®× C:\ProgramData\BOINC\slots\0\tmp ¤w¸g¦s¦b¡C
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
17:16:18 (2416): C:/Windows/system32/cmd.exe exited; CPU time 1347.265625
17:16:18 (2416): 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: 19215034 bytes.
Dumping objects ->
{1777} normal block at 0x0000016E63854DA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1766} normal block at 0x0000016E63854A20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1755} normal block at 0x0000016E63854BE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1744} normal block at 0x0000016E63854D30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1733} normal block at 0x0000016E63854C50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1702} normal block at 0x0000016E63848D40, 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) : {1689} normal block at 0x0000016E63855940, 8 bytes long.
Data: < cn > 00 00 B7 63 6E 01 00 00
{305} normal block at 0x0000016E63855C60, 8 bytes long.
Data: < e cn > 90 65 85 63 6E 01 00 00
{296} normal block at 0x0000016E63845AC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000016E638558A0, 16 bytes long.
Data: < T cn > 88 54 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016E63855AD0, 16 bytes long.
Data: <`T cn > 60 54 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016E6384F680, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000016E63855760, 16 bytes long.
Data: <8T cn > 38 54 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016E63855710, 16 bytes long.
Data: < T cn > 10 54 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016E63855EE0, 16 bytes long.
Data: < S cn > E8 53 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016E63855B20, 16 bytes long.
Data: < S cn > C0 53 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016E63854CC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000016E63855BC0, 16 bytes long.
Data: <x cn > 78 8B 84 63 6E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016E63850220, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000016E63856390, 16 bytes long.
Data: <P cn > 50 8B 84 63 6E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016E63855F80, 16 bytes long.
Data: <( cn > 28 8B 84 63 6E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016E638558F0, 16 bytes long.
Data: < cn > 00 8B 84 63 6E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016E638562F0, 16 bytes long.
Data: < cn > D8 8A 84 63 6E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016E638560C0, 16 bytes long.
Data: < cn > B0 8A 84 63 6E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016E63855B70, 16 bytes long.
Data: < cn > 88 8A 84 63 6E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016E6384FD40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000016E638564D0, 16 bytes long.
Data: <` cn > 60 8A 84 63 6E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016E63848A60, 320 bytes long.
Data: < d cn @ cn > D0 64 85 63 6E 01 00 00 40 FD 84 63 6E 01 00 00
{275} normal block at 0x0000016E63855E90, 16 bytes long.
Data: < S cn > A0 53 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016E63855800, 16 bytes long.
Data: <xS cn > 78 53 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016E6384F560, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000016E638555D0, 16 bytes long.
Data: <PS cn > 50 53 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016E63850160, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000016E63855850, 16 bytes long.
Data: < R cn > 98 52 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016E63856020, 16 bytes long.
Data: <pR cn > 70 52 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016E63855CB0, 16 bytes long.
Data: <HR cn > 48 52 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016E638562A0, 16 bytes long.
Data: < R cn > 20 52 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016E638504A0, 16 bytes long.
Data: < Q cn > F8 51 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016E63850450, 16 bytes long.
Data: < Q cn > D0 51 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016E63851260, 16 bytes long.
Data: < J cn > 90 4A 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016E63854A90, 40 bytes long.
Data: <` cn @ cn > 60 12 85 63 6E 01 00 00 40 8D 84 63 6E 01 00 00
{261} normal block at 0x0000016E63850EA0, 16 bytes long.
Data: < Q cn > B0 51 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016E63850F40, 16 bytes long.
Data: < Q cn > 88 51 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016E63850100, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000016E63850E50, 16 bytes long.
Data: <`Q cn > 60 51 85 63 6E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016E63855160, 992 bytes long.
Data: <P cn cn > 50 0E 85 63 6E 01 00 00 00 01 85 63 6E 01 00 00
{93} normal block at 0x0000016E638501C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000016E63850680, 16 bytes long.
Data: <@ cn > 40 B4 83 63 6E 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000016E6383B440, 40 bytes long.
Data: < cn cn > 80 06 85 63 6E 01 00 00 C0 01 85 63 6E 01 00 00
{68} normal block at 0x0000016E63850900, 16 bytes long.
Data: < a> > 80 EA 61 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000016E63850CC0, 16 bytes long.
Data: <@ a> > 40 E9 61 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000016E63850DB0, 16 bytes long.
Data: < W^> > F8 57 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000016E63850950, 16 bytes long.
Data: < W^> > D8 57 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000016E63851170, 16 bytes long.
Data: <P ^> > 50 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016E63850B80, 16 bytes long.
Data: <0 ^> > 30 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016E63851350, 16 bytes long.
Data: < ^> > E0 02 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016E638505E0, 16 bytes long.
Data: < ^> > 10 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016E63851120, 16 bytes long.
Data: <p ^> > 70 04 5E 3E F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016E63851300, 16 bytes long.
Data: < \> > 18 C0 5C 3E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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