Task 38679180
| Name | test_161-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4030_0 |
| Workunit | 31620971 |
| Created | 26 Oct 2026, 19:42:29 UTC |
| Sent | 26 Oct 2026, 19:42:37 UTC |
| Report deadline | 31 Oct 2026, 19:42:37 UTC |
| Received | 26 Oct 2026, 20:10:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654060 |
| Run time | 25 min 18 sec |
| CPU time | 24 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 23,707.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 731.77 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:44:43 (32720): wrapper (7.9.26016): starting
14:44:43 (32720): 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
14:44:44 (32720): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:44:44 (32720): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835170} normal block at 0x00000221E0F7F4E0, 8 bytes long.
Data: < ! > 00 00 F4 E0 21 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000221E2CF8040, 1080 bytes long.
Data: <8 > 38 CD 00 00 CD CD CD CD 08 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000221E0F80BF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:44:54 (31476): wrapper (7.9.26016): starting
14:44:54 (31476): 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.
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
15:10:11 (31476): C:/Windows/system32/cmd.exe exited; CPU time 1476.781250
15:10:11 (31476): 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: 42164378 bytes.
Dumping objects ->
{1604} normal block at 0x000001F87A484BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1593} normal block at 0x000001F87A484B50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000001F87A484AE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1571} normal block at 0x000001F87A484A70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x000001F87A484DF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1529} normal block at 0x000001F87A46B610, 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) : {1516} normal block at 0x000001F87A4866B0, 8 bytes long.
Data: < z > 00 00 AC 7A F8 01 00 00
{305} normal block at 0x000001F87A486890, 8 bytes long.
Data: < iHz > 00 69 48 7A F8 01 00 00
{296} normal block at 0x000001F87A476D10, 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 0x000001F87A485DA0, 16 bytes long.
Data: < WHz > F8 57 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F87A486660, 16 bytes long.
Data: < WHz > D0 57 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F87A47F8F0, 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 0x000001F87A486610, 16 bytes long.
Data: < WHz > A8 57 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F87A486390, 16 bytes long.
Data: < WHz > 80 57 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F87A486250, 16 bytes long.
Data: <XWHz > 58 57 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F87A486020, 16 bytes long.
Data: <0WHz > 30 57 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F87A484A00, 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 0x000001F87A486840, 16 bytes long.
Data: < Gz > E8 90 47 7A F8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F87A480730, 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 0x000001F87A486430, 16 bytes long.
Data: < Gz > C0 90 47 7A F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F87A4867A0, 16 bytes long.
Data: < Gz > 98 90 47 7A F8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F87A485D00, 16 bytes long.
Data: <p Gz > 70 90 47 7A F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F87A485E40, 16 bytes long.
Data: <H Gz > 48 90 47 7A F8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F87A4864D0, 16 bytes long.
Data: < Gz > 20 90 47 7A F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F87A486480, 16 bytes long.
Data: < Gz > F8 8F 47 7A F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F87A47FEF0, 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 0x000001F87A485B20, 16 bytes long.
Data: < Gz > D0 8F 47 7A F8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F87A478FD0, 320 bytes long.
Data: < [Hz Gz > 20 5B 48 7A F8 01 00 00 F0 FE 47 7A F8 01 00 00
{275} normal block at 0x000001F87A486160, 16 bytes long.
Data: < WHz > 10 57 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F87A485FD0, 16 bytes long.
Data: < VHz > E8 56 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F87A4802B0, 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 0x000001F87A4865C0, 16 bytes long.
Data: < VHz > C0 56 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F87A480310, 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 0x000001F87A485F80, 16 bytes long.
Data: < VHz > 08 56 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F87A485F30, 16 bytes long.
Data: < UHz > E0 55 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F87A485A80, 16 bytes long.
Data: < UHz > B8 55 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F87A486520, 16 bytes long.
Data: < UHz > 90 55 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F87A486750, 16 bytes long.
Data: <hUHz > 68 55 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F87A47EA00, 16 bytes long.
Data: <@UHz > 40 55 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F87A47E870, 16 bytes long.
Data: < MHz > 10 4D 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F87A484D10, 40 bytes long.
Data: <p Gz Fz > 70 E8 47 7A F8 01 00 00 10 B6 46 7A F8 01 00 00
{261} normal block at 0x000001F87A47F090, 16 bytes long.
Data: < UHz > 20 55 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F87A47E820, 16 bytes long.
Data: < THz > F8 54 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F87A4806D0, 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 0x000001F87A47F770, 16 bytes long.
Data: < THz > D0 54 48 7A F8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F87A4854D0, 992 bytes long.
Data: <p Gz Hz > 70 F7 47 7A F8 01 00 00 D0 06 48 7A F8 01 00 00
{93} normal block at 0x000001F87A480670, 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 0x000001F87A47EB40, 16 bytes long.
Data: < Gz > 20 E7 47 7A F8 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001F87A47E720, 40 bytes long.
Data: <@ Gz p Hz > 40 EB 47 7A F8 01 00 00 70 06 48 7A F8 01 00 00
{70} normal block at 0x000001F87A47F2C0, 16 bytes long.
Data: < > 80 EA 97 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F87A47F220, 16 bytes long.
Data: <@ > 40 E9 97 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F87A47F270, 16 bytes long.
Data: < W > F8 57 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F87A47E9B0, 16 bytes long.
Data: < W > D8 57 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F87A47F1D0, 16 bytes long.
Data: <P > 50 04 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F87A47EF50, 16 bytes long.
Data: <0 > 30 04 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F87A47ECD0, 16 bytes long.
Data: < > E0 02 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F87A47EBE0, 16 bytes long.
Data: < > 10 04 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F87A47F180, 16 bytes long.
Data: <p > 70 04 94 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F87A47EF00, 16 bytes long.
Data: < > 18 C0 92 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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