Task 38696394
| Name | test_336-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8973_0 |
| Workunit | 31637027 |
| Created | 31 Oct 2026, 23:03:22 UTC |
| Sent | 31 Oct 2026, 23:03:27 UTC |
| Report deadline | 5 Nov 2026, 23:03:27 UTC |
| Received | 1 Nov 2026, 0:28:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 602552 |
| Run time | 33 min 40 sec |
| CPU time | 32 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,741.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.54 MB |
| Peak swap size | 9.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:04:32 (21084): wrapper (7.9.26016): starting
10:04:32 (21084): 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
10:04:33 (21084): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:04:33 (21084): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835508} normal block at 0x000001285881E0E0, 8 bytes long.
Data: < X( > 00 00 E1 58 28 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000001285A764120, 1080 bytes long.
Data: < > 84 8C 00 00 CD CD CD CD F8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000012858821940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:36:29 (11676): wrapper (7.9.26016): starting
10:36:29 (11676): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1848} normal block at 0x000002878A365A80, 8 bytes long.
Data: < > 00 00 D0 8B 87 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002878A366E10, 1080 bytes long.
Data: < / H > 0C 2F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
10:41:04 (40168): wrapper (7.9.26016): starting
10:41:04 (40168): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1848} normal block at 0x0000023ADDF35E60, 8 bytes long.
Data: < : > 00 00 EC DD 3A 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000023ADDF36AC0, 1080 bytes long.
Data: < T > 14 7F 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
10:47:24 (29636): wrapper (7.9.26016): starting
10:47:24 (29636): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1848} normal block at 0x0000026D12B36850, 8 bytes long.
Data: < m > 00 00 04 13 6D 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000026D12B36E70, 1080 bytes long.
Data: < , > AC 7F 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
10:56:01 (20976): wrapper (7.9.26016): starting
10:56:01 (20976): 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\0\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
11:28:04 (20976): C:/Windows/system32/cmd.exe exited; CPU time 1932.921875
11:28:04 (20976): 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: 39756702 bytes.
Dumping objects ->
{1936} normal block at 0x000002320EC76BB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1925} normal block at 0x000002320EC76830, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1914} normal block at 0x000002320EC76C90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1903} normal block at 0x000002320EC76910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1892} normal block at 0x000002320EC76C20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1861} normal block at 0x000002320EC621B0, 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) : {1848} normal block at 0x000002320EC77960, 8 bytes long.
Data: < 2 > 00 00 17 0F 32 02 00 00
{311} normal block at 0x000002320EC77EB0, 8 bytes long.
Data: <@ 2 > 40 83 C7 0E 32 02 00 00
{302} normal block at 0x000002320EC616E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000002320EC772D0, 16 bytes long.
Data: <H 2 > 48 82 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002320EC778C0, 16 bytes long.
Data: < 2 > 20 82 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002320EC71300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000002320EC776E0, 16 bytes long.
Data: < 2 > F8 81 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002320EC771E0, 16 bytes long.
Data: < 2 > D0 81 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002320EC77780, 16 bytes long.
Data: < 2 > A8 81 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002320EC77190, 16 bytes long.
Data: < 2 > 80 81 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002320EC76DE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000002320EC77870, 16 bytes long.
Data: < 2 > 08 09 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002320EC719C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000002320EC77910, 16 bytes long.
Data: < 2 > E0 08 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002320EC77E60, 16 bytes long.
Data: < 2 > B8 08 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002320EC77640, 16 bytes long.
Data: < 2 > 90 08 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002320EC77140, 16 bytes long.
Data: <h 2 > 68 08 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002320EC76F60, 16 bytes long.
Data: <@ 2 > 40 08 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002320EC77E10, 16 bytes long.
Data: < 2 > 18 08 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002320EC71120, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000002320EC770F0, 16 bytes long.
Data: < 2 > F0 07 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002320EC707F0, 320 bytes long.
Data: < p 2 2 > F0 70 C7 0E 32 02 00 00 20 11 C7 0E 32 02 00 00
{281} normal block at 0x000002320EC77050, 16 bytes long.
Data: <` 2 > 60 81 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002320EC77370, 16 bytes long.
Data: <8 2 > 38 81 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002320EC71480, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000002320EC77DC0, 16 bytes long.
Data: < 2 > 10 81 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002320EC71840, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000002320EC770A0, 16 bytes long.
Data: <X 2 > 58 80 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002320EC77D20, 16 bytes long.
Data: <0 2 > 30 80 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002320EC77000, 16 bytes long.
Data: < 2 > 08 80 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002320EC77B40, 16 bytes long.
Data: < 2 > E0 7F C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002320EC77230, 16 bytes long.
Data: < 2 > B8 7F C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002320EC779B0, 16 bytes long.
Data: < 2 > 90 7F C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002320EC77AA0, 16 bytes long.
Data: < g 2 > C0 67 C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002320EC767C0, 40 bytes long.
Data: < z 2 ! 2 > A0 7A C7 0E 32 02 00 00 B0 21 C6 0E 32 02 00 00
{267} normal block at 0x000002320EC77C80, 16 bytes long.
Data: <p 2 > 70 7F C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002320EC77C30, 16 bytes long.
Data: <H 2 > 48 7F C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002320EC71060, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000002320EC77BE0, 16 bytes long.
Data: < 2 > 20 7F C7 0E 32 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002320EC77F20, 992 bytes long.
Data: < { 2 ` 2 > E0 7B C7 0E 32 02 00 00 60 10 C7 0E 32 02 00 00
{99} normal block at 0x000002320EC71900, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000002320EC6F3C0, 16 bytes long.
Data: <@ 2 > 40 03 C6 0E 32 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002320EC60340, 40 bytes long.
Data: < 2 2 > C0 F3 C6 0E 32 02 00 00 00 19 C7 0E 32 02 00 00
{76} normal block at 0x000002320EC6F410, 16 bytes long.
Data: < > 80 EA E5 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002320EC6F140, 16 bytes long.
Data: <@ > 40 E9 E5 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002320EC6F960, 16 bytes long.
Data: < W > F8 57 E2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002320EC6FEB0, 16 bytes long.
Data: < W > D8 57 E2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002320EC6F910, 16 bytes long.
Data: <P > 50 04 E2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002320EC6FCD0, 16 bytes long.
Data: <0 > 30 04 E2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002320EC6FC30, 16 bytes long.
Data: < > E0 02 E2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002320EC6FD70, 16 bytes long.
Data: < > 10 04 E2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002320EC6F690, 16 bytes long.
Data: <p > 70 04 E2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002320EC6FBE0, 16 bytes long.
Data: < > 18 C0 E0 96 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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