Task 38689054
| Name | test_921-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6715_1 |
| Workunit | 31630318 |
| Created | 28 Oct 2026, 17:58:54 UTC |
| Sent | 28 Oct 2026, 17:59:00 UTC |
| Report deadline | 2 Nov 2026, 17:59:00 UTC |
| Received | 28 Oct 2026, 19:08:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 520656 |
| Run time | 42 min 35 sec |
| CPU time | 37 min 58 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,454.81 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.00 MB |
| Peak swap size | 6.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:13:47 (4696): wrapper (7.9.26016): starting
14:13:47 (4696): 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
14:13:48 (4696): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:13:48 (4696): 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\16\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\16\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) : {3835170} normal block at 0x000001ACFC41E2F0, 8 bytes long.
Data: < > 00 00 92 FC AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000001ACFE1F54C0, 1080 bytes long.
Data: < D L > DC 44 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001ACFC421EF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:25:26 (20056): wrapper (7.9.26016): starting
14:25:26 (20056): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x000002AE6C726870, 8 bytes long.
Data: < jl > 00 00 6A 6C AE 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002AE6C726CA0, 1080 bytes long.
Data: <\ H > 5C 10 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
14:28:50 (19264): wrapper (7.9.26016): starting
14:28:50 (19264): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x000001EC19C65F10, 8 bytes long.
Data: < * > 00 00 2A 1A EC 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001EC19C66CA0, 1080 bytes long.
Data: < P > 10 0E 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
14:32:16 (424): wrapper (7.9.26016): starting
14:32:16 (424): 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\16\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
15:08:22 (424): C:/Windows/system32/cmd.exe exited; CPU time 1977.937500
15:08:22 (424): 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: 33615725 bytes.
Dumping objects ->
{1603} normal block at 0x0000022768E74D90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x0000022768E74D20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x0000022768E74CB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1570} normal block at 0x0000022768E75340, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1559} normal block at 0x0000022768E74E70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1528} normal block at 0x0000022768E5F230, 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) : {1515} normal block at 0x0000022768E76730, 8 bytes long.
Data: < i' > 00 00 17 69 27 02 00 00
{306} normal block at 0x0000022768E76C30, 8 bytes long.
Data: < l h' > A0 6C E7 68 27 02 00 00
{297} normal block at 0x0000022768E66B80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000022768E75FB0, 16 bytes long.
Data: < [ h' > 98 5B E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022768E768C0, 16 bytes long.
Data: <p[ h' > 70 5B E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022768E6F700, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000022768E75EC0, 16 bytes long.
Data: <H[ h' > 48 5B E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022768E75D30, 16 bytes long.
Data: < [ h' > 20 5B E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022768E75F10, 16 bytes long.
Data: < Z h' > F8 5A E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022768E76230, 16 bytes long.
Data: < Z h' > D0 5A E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022768E752D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000022768E767D0, 16 bytes long.
Data: < h' > D8 93 E6 68 27 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022768E700C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000022768E766E0, 16 bytes long.
Data: < h' > B0 93 E6 68 27 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022768E76780, 16 bytes long.
Data: < h' > 88 93 E6 68 27 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022768E761E0, 16 bytes long.
Data: <` h' > 60 93 E6 68 27 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022768E76190, 16 bytes long.
Data: <8 h' > 38 93 E6 68 27 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022768E769B0, 16 bytes long.
Data: < h' > 10 93 E6 68 27 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022768E76AF0, 16 bytes long.
Data: < h' > E8 92 E6 68 27 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022768E6F340, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000022768E76280, 16 bytes long.
Data: < h' > C0 92 E6 68 27 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022768E692C0, 320 bytes long.
Data: < b h' @ h' > 80 62 E7 68 27 02 00 00 40 F3 E6 68 27 02 00 00
{276} normal block at 0x0000022768E76690, 16 bytes long.
Data: < Z h' > B0 5A E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022768E76B40, 16 bytes long.
Data: < Z h' > 88 5A E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022768E6FFA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000022768E75F60, 16 bytes long.
Data: <`Z h' > 60 5A E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022768E6F9A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000022768E75CE0, 16 bytes long.
Data: < Y h' > A8 59 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022768E76910, 16 bytes long.
Data: < Y h' > 80 59 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022768E76320, 16 bytes long.
Data: <XY h' > 58 59 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022768E76460, 16 bytes long.
Data: <0Y h' > 30 59 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022768E75E70, 16 bytes long.
Data: < Y h' > 08 59 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022768E6D800, 16 bytes long.
Data: < X h' > E0 58 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022768E6D760, 16 bytes long.
Data: <PO h' > 50 4F E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022768E74F50, 40 bytes long.
Data: <` h' 0 h' > 60 D7 E6 68 27 02 00 00 30 F2 E5 68 27 02 00 00
{262} normal block at 0x0000022768E6D670, 16 bytes long.
Data: < X h' > C0 58 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022768E6DEE0, 16 bytes long.
Data: < X h' > 98 58 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022768E6FB20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000022768E6D620, 16 bytes long.
Data: <pX h' > 70 58 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022768E75870, 992 bytes long.
Data: < h' h' > 20 D6 E6 68 27 02 00 00 20 FB E6 68 27 02 00 00
{94} normal block at 0x0000022768E6F520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000022768E6D8F0, 16 bytes long.
Data: < S h' > B0 53 E7 68 27 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000022768E753B0, 40 bytes long.
Data: < h' h' > F0 D8 E6 68 27 02 00 00 20 F5 E6 68 27 02 00 00
{71} normal block at 0x0000022768E6D8A0, 16 bytes long.
Data: < N > 80 EA EF 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022768E6D5D0, 16 bytes long.
Data: <@ N > 40 E9 EF 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022768E6E110, 16 bytes long.
Data: < W N > F8 57 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022768E6DD00, 16 bytes long.
Data: < W N > D8 57 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022768E6D940, 16 bytes long.
Data: <P N > 50 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022768E6E3E0, 16 bytes long.
Data: <0 N > 30 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022768E6D7B0, 16 bytes long.
Data: < N > E0 02 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022768E6E1B0, 16 bytes long.
Data: < N > 10 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022768E6DDF0, 16 bytes long.
Data: <p N > 70 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022768E6E390, 16 bytes long.
Data: < N > 18 C0 EA 4E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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