Task 38656304
| Name | test_517-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND6426_0 |
| Workunit | 31600038 |
| Created | 24 Oct 2026, 10:31:08 UTC |
| Sent | 24 Oct 2026, 10:45:17 UTC |
| Report deadline | 29 Oct 2026, 10:45:17 UTC |
| Received | 24 Oct 2026, 12:51:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654255 |
| Run time | 37 min 17 sec |
| CPU time | 34 min 36 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 | 989.79 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>
14:06:16 (33680): wrapper (7.9.26016): starting
14:06:16 (33680): 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
14:06:18 (33680): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:06:18 (33680): 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 0x000002A4067CD9E0, 8 bytes long.
Data: < > 00 00 DE 06 A4 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000002A4085A4770, 1080 bytes long.
Data: < I > D8 49 00 00 CD CD CD CD 04 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002A4067D1A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:08:38 (36540): wrapper (7.9.26016): starting
14:08:39 (36540): 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 0x000001A289056C80, 8 bytes long.
Data: < g > 00 00 67 89 A2 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001A289057340, 1080 bytes long.
Data: < g X > D8 67 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
14:24:33 (34876): wrapper (7.9.26016): starting
14:24:33 (34876): 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 0x0000022E44D36550, 8 bytes long.
Data: < lF. > 00 00 6C 46 2E 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000022E44D37340, 1080 bytes long.
Data: << \ > 3C 8B 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
14:40:31 (252): wrapper (7.9.26016): starting
14:40:31 (252): 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
14:50:52 (252): C:/Windows/system32/cmd.exe exited; CPU time 580.781250
14:50:52 (252): 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: 12629695 bytes.
Dumping objects ->
{1634} normal block at 0x000001ED0A7A5430, 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 0x000001ED0A7A5A50, 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 0x000001ED0A7A5740, 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 0x000001ED0A7A5900, 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 0x000001ED0A7A57B0, 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 0x000001ED0A78F670, 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 0x000001ED0A78C500, 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 0x000001ED0A7A6B90, 8 bytes long.
Data: < > 00 00 CA 0A ED 01 00 00
{917} normal block at 0x000001ED0A78BD20, 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 0x000001ED0A7A6B40, 8 bytes long.
Data: <@sz > 40 73 7A 0A ED 01 00 00
{301} normal block at 0x000001ED0A797240, 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 0x000001ED0A7A6AF0, 16 bytes long.
Data: <Hrz > 48 72 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001ED0A7A6EB0, 16 bytes long.
Data: < rz > 20 72 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001ED0A7A0460, 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 0x000001ED0A7A6230, 16 bytes long.
Data: < qz > F8 71 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001ED0A7A5F60, 16 bytes long.
Data: < qz > D0 71 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ED0A7A6870, 16 bytes long.
Data: < qz > A8 71 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001ED0A7A6820, 16 bytes long.
Data: < qz > 80 71 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ED0A7A53C0, 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 0x000001ED0A7A6E60, 16 bytes long.
Data: < x > B8 BC 78 0A ED 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ED0A79F8C0, 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 0x000001ED0A7A6050, 16 bytes long.
Data: < x > 90 BC 78 0A ED 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ED0A7A61E0, 16 bytes long.
Data: <h x > 68 BC 78 0A ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ED0A7A5FB0, 16 bytes long.
Data: <@ x > 40 BC 78 0A ED 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001ED0A7A6A00, 16 bytes long.
Data: < x > 18 BC 78 0A ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ED0A7A6E10, 16 bytes long.
Data: < x > F0 BB 78 0A ED 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ED0A7A6CD0, 16 bytes long.
Data: < x > C8 BB 78 0A ED 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ED0A7A0340, 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 0x000001ED0A7A6C80, 16 bytes long.
Data: < x > A0 BB 78 0A ED 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ED0A78BBA0, 320 bytes long.
Data: < lz @ z > 80 6C 7A 0A ED 01 00 00 40 03 7A 0A ED 01 00 00
{280} normal block at 0x000001ED0A7A60A0, 16 bytes long.
Data: <`qz > 60 71 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ED0A7A66E0, 16 bytes long.
Data: <8qz > 38 71 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ED0A79F920, 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 0x000001ED0A7A6320, 16 bytes long.
Data: < qz > 10 71 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ED0A79FE00, 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 0x000001ED0A7A6140, 16 bytes long.
Data: <Xpz > 58 70 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ED0A7A6190, 16 bytes long.
Data: <0pz > 30 70 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ED0A7A67D0, 16 bytes long.
Data: < pz > 08 70 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ED0A7A6640, 16 bytes long.
Data: < oz > E0 6F 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ED0A7A6690, 16 bytes long.
Data: < oz > B8 6F 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ED0A7A6AA0, 16 bytes long.
Data: < oz > 90 6F 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ED0A7A6460, 16 bytes long.
Data: <PSz > 50 53 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ED0A7A5350, 40 bytes long.
Data: <`dz p x > 60 64 7A 0A ED 01 00 00 70 F6 78 0A ED 01 00 00
{266} normal block at 0x000001ED0A7A6500, 16 bytes long.
Data: <poz > 70 6F 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ED0A7A60F0, 16 bytes long.
Data: <Hoz > 48 6F 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ED0A7A05E0, 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 0x000001ED0A7A6780, 16 bytes long.
Data: < oz > 20 6F 7A 0A ED 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ED0A7A6F20, 992 bytes long.
Data: < gz z > 80 67 7A 0A ED 01 00 00 E0 05 7A 0A ED 01 00 00
{98} normal block at 0x000001ED0A79F9E0, 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 0x000001ED0A79DEB0, 16 bytes long.
Data: < x > 90 C4 78 0A ED 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001ED0A78C490, 40 bytes long.
Data: < y y > B0 DE 79 0A ED 01 00 00 E0 F9 79 0A ED 01 00 00
{75} normal block at 0x000001ED0A79DE10, 16 bytes long.
Data: < > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001ED0A79DD70, 16 bytes long.
Data: <@ > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001ED0A79DA50, 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 0x000001ED0A79E540, 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 0x000001ED0A79E7C0, 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 0x000001ED0A79E5E0, 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 0x000001ED0A79DFA0, 16 bytes long.
Data: < > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ED0A79D8C0, 16 bytes long.
Data: < > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ED0A79E590, 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 0x000001ED0A79DF50, 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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