Task 38653310
| Name | test_147-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND3124_0 |
| Workunit | 31597286 |
| Created | 24 Oct 2026, 5:23:22 UTC |
| Sent | 24 Oct 2026, 6:53:42 UTC |
| Report deadline | 29 Oct 2026, 6:53:42 UTC |
| Received | 24 Oct 2026, 8:34:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654255 |
| Run time | 41 min 53 sec |
| CPU time | 38 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 652.23 MB |
| Peak swap size | 5.33 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:49:40 (13740): wrapper (7.9.26016): starting
09:49:40 (13740): 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
09:49:43 (13740): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:49:43 (13740): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
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) : {3835204} normal block at 0x000001B249C9E4F0, 8 bytes long.
Data: < J > 00 00 1A 4A B2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001B24BA946C0, 1080 bytes long.
Data: < > D4 8C 00 00 CD CD CD CD F8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001B249CA1A50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:53:54 (9252): wrapper (7.9.26016): starting
09:53:54 (9252): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1545} normal block at 0x00000192B34E66E0, 8 bytes long.
Data: < > 00 00 9E B3 92 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000192B34E7160, 1080 bytes long.
Data: < Z P > A0 5A 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
10:09:49 (31488): wrapper (7.9.26016): starting
10:09:49 (31488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1545} normal block at 0x0000016148306000, 8 bytes long.
Data: < Ha > 00 00 94 48 61 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000016148307340, 1080 bytes long.
Data: < v T > D4 76 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
10:25:44 (20332): wrapper (7.9.26016): starting
10:25:44 (20332): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
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
10:34:26 (20332): C:/Windows/system32/cmd.exe exited; CPU time 481.562500
10:34:26 (20332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 10500069 bytes.
Dumping objects ->
{1634} normal block at 0x00000256AEB259E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1623} normal block at 0x00000256AEB25430, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1612} normal block at 0x00000256AEB255F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1601} normal block at 0x00000256AEB25900, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1590} normal block at 0x00000256AEB25890, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1559} normal block at 0x00000256AEB0FAC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1548} normal block at 0x00000256AEB0C930, 85 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) : {1545} normal block at 0x00000256AEB26A50, 8 bytes long.
Data: < V > 00 00 AA AE 56 02 00 00
{917} normal block at 0x00000256AEB0BD20, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x00000256AEB26460, 8 bytes long.
Data: <@s V > 40 73 B2 AE 56 02 00 00
{301} normal block at 0x00000256AEB17630, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x00000256AEB265F0, 16 bytes long.
Data: <Hr V > 48 72 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000256AEB26AA0, 16 bytes long.
Data: < r V > 20 72 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000256AEB1FF80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x00000256AEB26D70, 16 bytes long.
Data: < q V > F8 71 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000256AEB26CD0, 16 bytes long.
Data: < q V > D0 71 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000256AEB26190, 16 bytes long.
Data: < q V > A8 71 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000256AEB265A0, 16 bytes long.
Data: < q V > 80 71 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000256AEB25970, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000256AEB26410, 16 bytes long.
Data: < V > B8 BC B0 AE 56 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000256AEB20160, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000256AEB26140, 16 bytes long.
Data: < V > 90 BC B0 AE 56 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000256AEB26690, 16 bytes long.
Data: <h V > 68 BC B0 AE 56 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000256AEB26640, 16 bytes long.
Data: <@ V > 40 BC B0 AE 56 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000256AEB260F0, 16 bytes long.
Data: < V > 18 BC B0 AE 56 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000256AEB26370, 16 bytes long.
Data: < V > F0 BB B0 AE 56 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000256AEB26500, 16 bytes long.
Data: < V > C8 BB B0 AE 56 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000256AEB20400, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x00000256AEB25FB0, 16 bytes long.
Data: < V > A0 BB B0 AE 56 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000256AEB0BBA0, 320 bytes long.
Data: < _ V V > B0 5F B2 AE 56 02 00 00 00 04 B2 AE 56 02 00 00
{280} normal block at 0x00000256AEB26320, 16 bytes long.
Data: <`q V > 60 71 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000256AEB26D20, 16 bytes long.
Data: <8q V > 38 71 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000256AEB1FD40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000256AEB26AF0, 16 bytes long.
Data: < q V > 10 71 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000256AEB20520, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x00000256AEB26C80, 16 bytes long.
Data: <Xp V > 58 70 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000256AEB26230, 16 bytes long.
Data: <0p V > 30 70 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000256AEB26960, 16 bytes long.
Data: < p V > 08 70 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000256AEB268C0, 16 bytes long.
Data: < o V > E0 6F B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000256AEB264B0, 16 bytes long.
Data: < o V > B8 6F B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000256AEB263C0, 16 bytes long.
Data: < o V > 90 6F B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000256AEB266E0, 16 bytes long.
Data: <`V V > 60 56 B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000256AEB25660, 40 bytes long.
Data: < f V V > E0 66 B2 AE 56 02 00 00 C0 FA B0 AE 56 02 00 00
{266} normal block at 0x00000256AEB260A0, 16 bytes long.
Data: <po V > 70 6F B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000256AEB26870, 16 bytes long.
Data: <Ho V > 48 6F B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000256AEB20100, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x00000256AEB262D0, 16 bytes long.
Data: < o V > 20 6F B2 AE 56 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000256AEB26F20, 992 bytes long.
Data: < b V V > D0 62 B2 AE 56 02 00 00 00 01 B2 AE 56 02 00 00
{98} normal block at 0x00000256AEB1FDA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x00000256AEB1E630, 16 bytes long.
Data: < V > C0 C8 B0 AE 56 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000256AEB0C8C0, 40 bytes long.
Data: <0 V V > 30 E6 B1 AE 56 02 00 00 A0 FD B1 AE 56 02 00 00
{75} normal block at 0x00000256AEB1E2C0, 16 bytes long.
Data: < > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000256AEB1DC80, 16 bytes long.
Data: <@ > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000256AEB1DEB0, 16 bytes long.
Data: < W > F8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000256AEB1D870, 16 bytes long.
Data: < W > D8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000256AEB1DFA0, 16 bytes long.
Data: <P > 50 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000256AEB1E0E0, 16 bytes long.
Data: <0 > 30 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000256AEB1E590, 16 bytes long.
Data: < > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000256AEB1DE10, 16 bytes long.
Data: < > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000256AEB1E5E0, 16 bytes long.
Data: <p > 70 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000256AEB1DB90, 16 bytes long.
Data: < > 18 C0 D5 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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