Task 38667692
| Name | test_769-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND0276_0 |
| Workunit | 31610292 |
| Created | 25 Oct 2026, 9:01:06 UTC |
| Sent | 25 Oct 2026, 9:01:09 UTC |
| Report deadline | 30 Oct 2026, 9:01:09 UTC |
| Received | 25 Oct 2026, 17:32:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652367 |
| Run time | 1 hours 23 min 1 sec |
| CPU time | 1 hours 16 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 24,724.80 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.38 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:53:37 (18248): wrapper (7.9.26016): starting
18:53:37 (18248): 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
18:53:41 (18248): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:53:41 (18248): 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\55\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\55\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) : {3835441} normal block at 0x0000015DA7430120, 8 bytes long.
Data: < @ ] > 00 00 40 A7 5D 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000015DA9156830, 1080 bytes long.
Data: < x H > E0 78 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000015DA7433C50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:29:45 (21984): wrapper (7.9.26016): starting
19:29:45 (21984): 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\55\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1782} normal block at 0x0000021487496710, 8 bytes long.
Data: < > 00 00 AA 87 14 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000021487497460, 1080 bytes long.
Data: < P > E0 82 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
19:35:44 (41908): wrapper (7.9.26016): starting
19:35:44 (41908): 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\55\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1782} normal block at 0x000002019BC26080, 8 bytes long.
Data: < > 00 00 BE 9B 01 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002019BC27460, 1080 bytes long.
Data: <\ H > 5C 97 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:17:26 (27500): wrapper (7.9.26016): starting
20:17:26 (27500): 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\55\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
20:30:30 (27500): C:/Windows/system32/cmd.exe exited; CPU time 688.609375
20:30:30 (27500): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 18098539 bytes.
Dumping objects ->
{1871} normal block at 0x000001F0FEAA5330, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1860} normal block at 0x000001F0FEAA54F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1849} normal block at 0x000001F0FEAA5250, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1838} normal block at 0x000001F0FEAA53A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1827} normal block at 0x000001F0FEAA5480, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1796} normal block at 0x000001F0FEA9F840, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1785} normal block at 0x000001F0FEA8C8B0, 102 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) : {1782} normal block at 0x000001F0FEAA6120, 8 bytes long.
Data: < > 00 00 FF FE F0 01 00 00
{1039} normal block at 0x000001F0FEAA5DB0, 102 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 0x000001F0FEAA6DA0, 8 bytes long.
Data: <`t > 60 74 AA FE F0 01 00 00
{301} normal block at 0x000001F0FEA97510, 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 0x000001F0FEAA6760, 16 bytes long.
Data: <hs > 68 73 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F0FEAA6DF0, 16 bytes long.
Data: <@s > 40 73 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F0FEAA04D0, 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 0x000001F0FEAA6C60, 16 bytes long.
Data: < s > 18 73 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F0FEAA6800, 16 bytes long.
Data: < r > F0 72 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F0FEAA6FD0, 16 bytes long.
Data: < r > C8 72 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F0FEAA68A0, 16 bytes long.
Data: < r > A0 72 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F0FEAA5100, 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 0x000001F0FEAA6990, 16 bytes long.
Data: <h > 68 FA A8 FE F0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F0FEA9FFF0, 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 0x000001F0FEAA6260, 16 bytes long.
Data: <@ > 40 FA A8 FE F0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F0FEAA6A30, 16 bytes long.
Data: < > 18 FA A8 FE F0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F0FEAA66C0, 16 bytes long.
Data: < > F0 F9 A8 FE F0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F0FEAA6350, 16 bytes long.
Data: < > C8 F9 A8 FE F0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F0FEAA6940, 16 bytes long.
Data: < > A0 F9 A8 FE F0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F0FEAA6670, 16 bytes long.
Data: <x > 78 F9 A8 FE F0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F0FEA9FE70, 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 0x000001F0FEAA6300, 16 bytes long.
Data: <P > 50 F9 A8 FE F0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F0FEA8F950, 320 bytes long.
Data: < c p > 00 63 AA FE F0 01 00 00 70 FE A9 FE F0 01 00 00
{280} normal block at 0x000001F0FEAA6080, 16 bytes long.
Data: < r > 80 72 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F0FEAA6490, 16 bytes long.
Data: <Xr > 58 72 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F0FEAA00B0, 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 0x000001F0FEAA68F0, 16 bytes long.
Data: <0r > 30 72 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F0FEAA0590, 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 0x000001F0FEAA6F80, 16 bytes long.
Data: <xq > 78 71 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F0FEAA6710, 16 bytes long.
Data: <Pq > 50 71 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F0FEAA6E90, 16 bytes long.
Data: <(q > 28 71 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F0FEAA6B70, 16 bytes long.
Data: < q > 00 71 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F0FEAA6F30, 16 bytes long.
Data: < p > D8 70 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F0FEAA6620, 16 bytes long.
Data: < p > B0 70 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F0FEAA61C0, 16 bytes long.
Data: < P > 90 50 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F0FEAA5090, 40 bytes long.
Data: < a @ > C0 61 AA FE F0 01 00 00 40 F8 A9 FE F0 01 00 00
{266} normal block at 0x000001F0FEAA6D00, 16 bytes long.
Data: < p > 90 70 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F0FEAA65D0, 16 bytes long.
Data: <hp > 68 70 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F0FEAA0770, 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 0x000001F0FEAA6580, 16 bytes long.
Data: <@p > 40 70 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F0FEAA7040, 992 bytes long.
Data: < e p > 80 65 AA FE F0 01 00 00 70 07 AA FE F0 01 00 00
{98} normal block at 0x000001F0FEA9FE10, 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 0x000001F0FEA9E210, 16 bytes long.
Data: < W > 90 57 AA FE F0 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001F0FEAA5790, 40 bytes long.
Data: < > 10 E2 A9 FE F0 01 00 00 10 FE A9 FE F0 01 00 00
{75} normal block at 0x000001F0FEA9E6C0, 16 bytes long.
Data: < > 80 EA 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F0FEA9DF90, 16 bytes long.
Data: <@ > 40 E9 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F0FEA9E350, 16 bytes long.
Data: < W > F8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F0FEA9E2B0, 16 bytes long.
Data: < W > D8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F0FEA9E850, 16 bytes long.
Data: <P > 50 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F0FEA9E5D0, 16 bytes long.
Data: <0 > 30 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F0FEA9DFE0, 16 bytes long.
Data: < > E0 02 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F0FEA9D950, 16 bytes long.
Data: < > 10 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F0FEA9E1C0, 16 bytes long.
Data: <p > 70 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F0FEA9DD10, 16 bytes long.
Data: < > 18 C0 95 05 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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