Task 38656538
| Name | test_800-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND1041_0 |
| Workunit | 31600257 |
| Created | 24 Oct 2026, 10:44:13 UTC |
| Sent | 24 Oct 2026, 10:45:16 UTC |
| Report deadline | 29 Oct 2026, 10:45:16 UTC |
| Received | 24 Oct 2026, 12:05:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654255 |
| Run time | 41 min 16 sec |
| CPU time | 38 min 51 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 | 663.39 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:22:43 (4148): wrapper (7.9.26016): starting
13:22:43 (4148): 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
13:22:45 (4148): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:22:45 (4148): 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 0x0000022DA29AD990, 8 bytes long.
Data: < - > 00 00 95 A2 2D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000022DA46A4770, 1080 bytes long.
Data: < i $ > E0 69 00 00 CD CD CD CD 24 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022DA29B1940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:36:47 (26768): wrapper (7.9.26016): starting
13:36:47 (26768): 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 0x00000223E3F77510, 8 bytes long.
Data: < 4 # > 00 00 34 E4 23 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000223E3F78350, 1080 bytes long.
Data: <pB H > 70 42 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:52:42 (7448): wrapper (7.9.26016): starting
13:52:42 (7448): 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
14:05:06 (7448): C:/Windows/system32/cmd.exe exited; CPU time 702.859375
14:05:06 (7448): 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: 15013903 bytes.
Dumping objects ->
{1634} normal block at 0x00000147A6B15A50, 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 0x00000147A6B15900, 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 0x00000147A6B15890, 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 0x00000147A6B15660, 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 0x00000147A6B156D0, 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 0x00000147A6AFF0E0, 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 0x00000147A6AFC930, 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 0x00000147A6B16960, 8 bytes long.
Data: < G > 00 00 F3 A6 47 01 00 00
{917} normal block at 0x00000147A6AFBD20, 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 0x00000147A6B167D0, 8 bytes long.
Data: <@s G > 40 73 B1 A6 47 01 00 00
{301} normal block at 0x00000147A6B06DC0, 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 0x00000147A6B16D20, 16 bytes long.
Data: <Hr G > 48 72 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000147A6B16C80, 16 bytes long.
Data: < r G > 20 72 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000147A6B10160, 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 0x00000147A6B16780, 16 bytes long.
Data: < q G > F8 71 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000147A6B16410, 16 bytes long.
Data: < q G > D0 71 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000147A6B160F0, 16 bytes long.
Data: < q G > A8 71 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000147A6B16280, 16 bytes long.
Data: < q G > 80 71 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000147A6B15820, 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 0x00000147A6B164B0, 16 bytes long.
Data: < G > B8 BC AF A6 47 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000147A6B0F920, 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 0x00000147A6B16EB0, 16 bytes long.
Data: < G > 90 BC AF A6 47 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000147A6B16B40, 16 bytes long.
Data: <h G > 68 BC AF A6 47 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000147A6B16230, 16 bytes long.
Data: <@ G > 40 BC AF A6 47 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000147A6B16320, 16 bytes long.
Data: < G > 18 BC AF A6 47 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000147A6B16AF0, 16 bytes long.
Data: < G > F0 BB AF A6 47 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000147A6B161E0, 16 bytes long.
Data: < G > C8 BB AF A6 47 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000147A6B0FA40, 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 0x00000147A6B169B0, 16 bytes long.
Data: < G > A0 BB AF A6 47 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000147A6AFBBA0, 320 bytes long.
Data: < i G @ G > B0 69 B1 A6 47 01 00 00 40 FA B0 A6 47 01 00 00
{280} normal block at 0x00000147A6B16E60, 16 bytes long.
Data: <`q G > 60 71 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000147A6B16BE0, 16 bytes long.
Data: <8q G > 38 71 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000147A6B10340, 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 0x00000147A6B16730, 16 bytes long.
Data: < q G > 10 71 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000147A6B10580, 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 0x00000147A6B16190, 16 bytes long.
Data: <Xp G > 58 70 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000147A6B16DC0, 16 bytes long.
Data: <0p G > 30 70 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000147A6B16910, 16 bytes long.
Data: < p G > 08 70 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000147A6B16B90, 16 bytes long.
Data: < o G > E0 6F B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000147A6B16140, 16 bytes long.
Data: < o G > B8 6F B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000147A6B16500, 16 bytes long.
Data: < o G > 90 6F B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000147A6B16A50, 16 bytes long.
Data: <0T G > 30 54 B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000147A6B15430, 40 bytes long.
Data: <Pj G G > 50 6A B1 A6 47 01 00 00 E0 F0 AF A6 47 01 00 00
{266} normal block at 0x00000147A6B16CD0, 16 bytes long.
Data: <po G > 70 6F B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000147A6B16690, 16 bytes long.
Data: <Ho G > 48 6F B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000147A6B0FC80, 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 0x00000147A6B16C30, 16 bytes long.
Data: < o G > 20 6F B1 A6 47 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000147A6B16F20, 992 bytes long.
Data: <0l G G > 30 6C B1 A6 47 01 00 00 80 FC B0 A6 47 01 00 00
{98} normal block at 0x00000147A6B10640, 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 0x00000147A6B0E720, 16 bytes long.
Data: < G > C0 C8 AF A6 47 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000147A6AFC8C0, 40 bytes long.
Data: < G @ G > 20 E7 B0 A6 47 01 00 00 40 06 B1 A6 47 01 00 00
{75} normal block at 0x00000147A6B0E400, 16 bytes long.
Data: < > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000147A6B0DFA0, 16 bytes long.
Data: <@ > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000147A6B0DE60, 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 0x00000147A6B0DBE0, 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 0x00000147A6B0DFF0, 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 0x00000147A6B0DB90, 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 0x00000147A6B0E4F0, 16 bytes long.
Data: < > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000147A6B0DF50, 16 bytes long.
Data: < > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000147A6B0E450, 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 0x00000147A6B0DF00, 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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