Task 38650633
| Name | test_446-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND5752_0 |
| Workunit | 31595121 |
| Created | 23 Oct 2026, 23:53:48 UTC |
| Sent | 24 Oct 2026, 0:12:26 UTC |
| Report deadline | 29 Oct 2026, 0:12:26 UTC |
| Received | 24 Oct 2026, 1:40:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654255 |
| Run time | 40 min 28 sec |
| CPU time | 37 min 44 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 | 685.04 MB |
| Peak swap size | 5.34 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:56:40 (29156): wrapper (7.9.26016): starting
02:56:40 (29156): 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
02:56:42 (29156): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:56:42 (29156): 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 0x0000021B0D6ADA80, 8 bytes long.
Data: < $ > 00 00 24 0F 1B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000021B0F414770, 1080 bytes long.
Data: < l > D0 6C 00 00 CD CD CD CD B8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000021B0D6B2700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
02:59:56 (31424): wrapper (7.9.26016): starting
02:59:56 (31424): 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 0x000001DD52FD6140, 8 bytes long.
Data: < GS > 00 00 47 53 DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001DD52FD7340, 1080 bytes long.
Data: < X T > 18 58 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
03:15:51 (31480): wrapper (7.9.26016): starting
03:15:51 (31480): 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 0x000001EFC7E665B0, 8 bytes long.
Data: < + > 00 00 2B C8 EF 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001EFC7E67170, 1080 bytes long.
Data: < h P > E4 68 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
03:31:45 (23264): wrapper (7.9.26016): starting
03:31:45 (23264): 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
03:40:16 (23264): C:/Windows/system32/cmd.exe exited; CPU time 471.000000
03:40:16 (23264): 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: 10174547 bytes.
Dumping objects ->
{1635} normal block at 0x0000021CAA455540, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1624} normal block at 0x0000021CAA4553F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1613} normal block at 0x0000021CAA455460, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1602} normal block at 0x0000021CAA455620, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1591} normal block at 0x0000021CAA455690, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1560} normal block at 0x0000021CAA43FAC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x0000021CAA43C930, 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 0x0000021CAA456710, 8 bytes long.
Data: < ~ > 00 00 7E AA 1C 02 00 00
{917} normal block at 0x0000021CAA43BD20, 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 0x0000021CAA456DA0, 8 bytes long.
Data: <psE > 70 73 45 AA 1C 02 00 00
{301} normal block at 0x0000021CAA446D60, 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 0x0000021CAA456030, 16 bytes long.
Data: <xrE > 78 72 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000021CAA4566C0, 16 bytes long.
Data: <PrE > 50 72 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000021CAA44FC50, 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 0x0000021CAA456850, 16 bytes long.
Data: <(rE > 28 72 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021CAA456530, 16 bytes long.
Data: < rE > 00 72 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021CAA456300, 16 bytes long.
Data: < qE > D8 71 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021CAA456440, 16 bytes long.
Data: < qE > B0 71 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021CAA455930, 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 0x0000021CAA456260, 16 bytes long.
Data: < C > B8 BC 43 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021CAA450310, 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 0x0000021CAA456A80, 16 bytes long.
Data: < C > 90 BC 43 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021CAA456E40, 16 bytes long.
Data: <h C > 68 BC 43 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021CAA455FE0, 16 bytes long.
Data: <@ C > 40 BC 43 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021CAA456120, 16 bytes long.
Data: < C > 18 BC 43 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021CAA4563F0, 16 bytes long.
Data: < C > F0 BB 43 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021CAA456DF0, 16 bytes long.
Data: < C > C8 BB 43 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021CAA44FA10, 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 0x0000021CAA455F90, 16 bytes long.
Data: < C > A0 BB 43 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021CAA43BBA0, 320 bytes long.
Data: < _E D > 90 5F 45 AA 1C 02 00 00 10 FA 44 AA 1C 02 00 00
{280} normal block at 0x0000021CAA456EE0, 16 bytes long.
Data: < qE > 90 71 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021CAA456940, 16 bytes long.
Data: <hqE > 68 71 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021CAA450790, 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 0x0000021CAA456D50, 16 bytes long.
Data: <@qE > 40 71 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021CAA4505B0, 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 0x0000021CAA456670, 16 bytes long.
Data: < pE > 88 70 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021CAA4560D0, 16 bytes long.
Data: <`pE > 60 70 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021CAA456210, 16 bytes long.
Data: <8pE > 38 70 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021CAA456D00, 16 bytes long.
Data: < pE > 10 70 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021CAA456A30, 16 bytes long.
Data: < oE > E8 6F 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021CAA4569E0, 16 bytes long.
Data: < oE > C0 6F 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021CAA456AD0, 16 bytes long.
Data: < ZE > 10 5A 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021CAA455A10, 40 bytes long.
Data: < jE C > D0 6A 45 AA 1C 02 00 00 C0 FA 43 AA 1C 02 00 00
{266} normal block at 0x0000021CAA456620, 16 bytes long.
Data: < oE > A0 6F 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021CAA456CB0, 16 bytes long.
Data: <xoE > 78 6F 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021CAA44FFB0, 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 0x0000021CAA4561C0, 16 bytes long.
Data: <PoE > 50 6F 45 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021CAA456F50, 992 bytes long.
Data: < aE D > C0 61 45 AA 1C 02 00 00 B0 FF 44 AA 1C 02 00 00
{98} normal block at 0x0000021CAA450130, 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 0x0000021CAA44E2A0, 16 bytes long.
Data: < C > C0 C8 43 AA 1C 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000021CAA43C8C0, 40 bytes long.
Data: < D 0 E > A0 E2 44 AA 1C 02 00 00 30 01 45 AA 1C 02 00 00
{75} normal block at 0x0000021CAA44E160, 16 bytes long.
Data: < > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000021CAA44DD50, 16 bytes long.
Data: <@ > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000021CAA44D990, 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 0x0000021CAA44DC10, 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 0x0000021CAA44E250, 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 0x0000021CAA44DE90, 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 0x0000021CAA44E1B0, 16 bytes long.
Data: < > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021CAA44E110, 16 bytes long.
Data: < > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021CAA44E3E0, 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 0x0000021CAA44D940, 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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