Task 38647424
| Name | test_321-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND7427_0 |
| Workunit | 31592158 |
| Created | 23 Oct 2026, 20:09:03 UTC |
| Sent | 23 Oct 2026, 20:19:46 UTC |
| Report deadline | 28 Oct 2026, 20:19:46 UTC |
| Received | 24 Oct 2026, 11:18:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561090 |
| Run time | 43 min 12 sec |
| CPU time | 43 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,189.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.79 GB |
| Peak swap size | 3.76 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:52:05 (20820): wrapper (7.9.26016): starting
04:52:05 (20820): 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
04:52:30 (20820): Library/usr/bin/tar.exe exited; CPU time 0.218750
04:52:30 (20820): 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\8\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\8\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) : {3835103} normal block at 0x00000174FA826A70, 8 bytes long.
Data: < 1 t > 00 00 31 FC 74 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x00000174FC3A3890, 1080 bytes long.
Data: <Ty ( > 54 79 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000174FA830D50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:52:30 (8164): wrapper (7.9.26016): starting
05:52:30 (8164): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000002654E1320E0, 8 bytes long.
Data: < Oe > 00 00 A0 4F 65 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000002654E133CA0, 1080 bytes long.
Data: < % , > D0 25 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
06:14:31 (16956): wrapper (7.9.26016): starting
06:14:31 (16956): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\8\tmp already exists.
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
06:18:02 (16956): C:/Windows/system32/cmd.exe exited; CPU time 125.421875
06:18:02 (16956): 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: 3691972 bytes.
Dumping objects ->
{1541} normal block at 0x0000021DAF25F950, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x0000021DAF25F720, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x0000021DAF25F870, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x0000021DAF25F6B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x0000021DAF25F640, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x0000021DAF246AC0, 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) : {1453} normal block at 0x0000021DAF2641E0, 8 bytes long.
Data: < # > 00 00 23 AF 1D 02 00 00
{301} normal block at 0x0000021DAF2645A0, 8 bytes long.
Data: < Q& > 10 51 26 AF 1D 02 00 00
{292} normal block at 0x0000021DAF246A30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000021DAF264500, 16 bytes long.
Data: < P& > 18 50 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021DAF264AA0, 16 bytes long.
Data: < O& > F0 4F 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021DAF25D220, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000021DAF264460, 16 bytes long.
Data: < O& > C8 4F 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021DAF264190, 16 bytes long.
Data: < O& > A0 4F 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021DAF264140, 16 bytes long.
Data: <xO& > 78 4F 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021DAF263F10, 16 bytes long.
Data: <PO& > 50 4F 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021DAF25F800, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000021DAF2648C0, 16 bytes long.
Data: < $ > C8 EC 24 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021DAF25DE80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000021DAF263E20, 16 bytes long.
Data: < $ > A0 EC 24 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021DAF264550, 16 bytes long.
Data: <x $ > 78 EC 24 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021DAF2640A0, 16 bytes long.
Data: <P $ > 50 EC 24 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021DAF263EC0, 16 bytes long.
Data: <( $ > 28 EC 24 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021DAF264C80, 16 bytes long.
Data: < $ > 00 EC 24 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021DAF264910, 16 bytes long.
Data: < $ > D8 EB 24 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021DAF25DE20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000021DAF2644B0, 16 bytes long.
Data: < $ > B0 EB 24 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021DAF24EBB0, 320 bytes long.
Data: < D& % > B0 44 26 AF 1D 02 00 00 20 DE 25 AF 1D 02 00 00
{271} normal block at 0x0000021DAF263DD0, 16 bytes long.
Data: <0O& > 30 4F 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021DAF264000, 16 bytes long.
Data: < O& > 08 4F 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021DAF25DAC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000021DAF263FB0, 16 bytes long.
Data: < N& > E0 4E 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021DAF25D7C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000021DAF264370, 16 bytes long.
Data: <(N& > 28 4E 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021DAF264C30, 16 bytes long.
Data: < N& > 00 4E 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021DAF264A50, 16 bytes long.
Data: < M& > D8 4D 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021DAF2640F0, 16 bytes long.
Data: < M& > B0 4D 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021DAF263D30, 16 bytes long.
Data: < M& > 88 4D 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021DAF264050, 16 bytes long.
Data: <`M& > 60 4D 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021DAF264BE0, 16 bytes long.
Data: < % > E0 F8 25 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021DAF25F8E0, 40 bytes long.
Data: < K& j$ > E0 4B 26 AF 1D 02 00 00 C0 6A 24 AF 1D 02 00 00
{257} normal block at 0x0000021DAF263D80, 16 bytes long.
Data: <@M& > 40 4D 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021DAF264B40, 16 bytes long.
Data: < M& > 18 4D 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000021DAF25D160, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000021DAF2646E0, 16 bytes long.
Data: < L& > F0 4C 26 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000021DAF264CF0, 992 bytes long.
Data: < F& ` % > E0 46 26 AF 1D 02 00 00 60 D1 25 AF 1D 02 00 00
{89} normal block at 0x0000021DAF25D820, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000021DAF2585B0, 16 bytes long.
Data: < % > D0 FC 25 AF 1D 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000021DAF25FCD0, 40 bytes long.
Data: < % % > B0 85 25 AF 1D 02 00 00 20 D8 25 AF 1D 02 00 00
{66} normal block at 0x0000021DAF259190, 16 bytes long.
Data: < > 80 EA CC D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021DAF258600, 16 bytes long.
Data: <@ > 40 E9 CC D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021DAF258420, 16 bytes long.
Data: < W > F8 57 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021DAF258510, 16 bytes long.
Data: < W > D8 57 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021DAF258CE0, 16 bytes long.
Data: <P > 50 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021DAF258790, 16 bytes long.
Data: <0 > 30 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021DAF258F10, 16 bytes long.
Data: < > E0 02 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021DAF258E20, 16 bytes long.
Data: < > 10 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021DAF258C40, 16 bytes long.
Data: <p > 70 04 C9 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021DAF2584C0, 16 bytes long.
Data: < > 18 C0 C7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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