Task 38680892
| Name | test_56-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8245_0 |
| Workunit | 31622588 |
| Created | 27 Oct 2026, 2:04:08 UTC |
| Sent | 27 Oct 2026, 2:04:15 UTC |
| Report deadline | 1 Nov 2026, 2:04:15 UTC |
| Received | 27 Oct 2026, 5:02:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646261 |
| Run time | 17 min 17 sec |
| CPU time | 17 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 39,048.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.60 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 4.18 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:27:34 (34508): wrapper (7.9.26016): starting
04:27:34 (34508): 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
04:27:35 (34508): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:27:35 (34508): 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\1\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\1\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) : {3835431} normal block at 0x0000028D6711F310, 8 bytes long.
Data: < sg > 00 00 73 67 8D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000028D68FF5130, 1080 bytes long.
Data: < > F4 A7 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000028D67122770, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
04:40:30 (30768): wrapper (7.9.26016): starting
04:40:30 (30768): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1773} normal block at 0x0000021F9BAE7B80, 8 bytes long.
Data: < > 00 00 0F 9C 1F 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000021F9BAE8C40, 1080 bytes long.
Data: <0 L > 30 BB 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
04:55:36 (9732): wrapper (7.9.26016): starting
04:55:36 (9732): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1773} normal block at 0x0000029DBC355EB0, 8 bytes long.
Data: < > 00 00 84 BC 9D 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000029DBC356D90, 1080 bytes long.
Data: <D H > 44 0C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
05:43:08 (38272): wrapper (7.9.26016): starting
05:43:08 (38272): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1773} normal block at 0x000001A40A845C40, 8 bytes long.
Data: < > 00 00 D0 0A A4 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001A40A846FD0, 1080 bytes long.
Data: <H H > 48 B6 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
05:58:17 (36320): wrapper (7.9.26016): starting
05:58:17 (36320): 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\1\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
06:02:11 (36320): C:/Windows/system32/cmd.exe exited; CPU time 189.281250
06:02:11 (36320): 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: 4527254 bytes.
Dumping objects ->
{1861} normal block at 0x0000012B2CCA3E20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1850} normal block at 0x0000012B2CCA4280, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x0000012B2CCA3D40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1828} normal block at 0x0000012B2CCA3CD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1817} normal block at 0x0000012B2CCA3F00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1786} normal block at 0x0000012B2CC8EF30, 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) : {1773} normal block at 0x0000012B2CCA58C0, 8 bytes long.
Data: < -+ > 00 00 1C 2D 2B 01 00 00
{309} normal block at 0x0000012B2CCA6450, 8 bytes long.
Data: < k ,+ > B0 6B CA 2C 2B 01 00 00
{300} normal block at 0x0000012B2CC97490, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000012B2CCA5A50, 16 bytes long.
Data: < j ,+ > B8 6A CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000012B2CCA6400, 16 bytes long.
Data: < j ,+ > 90 6A CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000012B2CC9F6D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000012B2CCA5870, 16 bytes long.
Data: <hj ,+ > 68 6A CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000012B2CCA60E0, 16 bytes long.
Data: <@j ,+ > 40 6A CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000012B2CCA5A00, 16 bytes long.
Data: < j ,+ > 18 6A CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000012B2CCA59B0, 16 bytes long.
Data: < i ,+ > F0 69 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000012B2CCA4210, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000012B2CCA5C80, 16 bytes long.
Data: < ,+ > 08 BB C8 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000012B2CC9FF70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000012B2CCA5EB0, 16 bytes long.
Data: < ,+ > E0 BA C8 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000012B2CCA6310, 16 bytes long.
Data: < ,+ > B8 BA C8 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000012B2CCA5D70, 16 bytes long.
Data: < ,+ > 90 BA C8 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000012B2CCA6090, 16 bytes long.
Data: <h ,+ > 68 BA C8 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000012B2CCA5D20, 16 bytes long.
Data: <@ ,+ > 40 BA C8 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000012B2CCA6040, 16 bytes long.
Data: < ,+ > 18 BA C8 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000012B2CC9FCD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000012B2CCA6270, 16 bytes long.
Data: < ,+ > F0 B9 C8 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000012B2CC8B9F0, 320 bytes long.
Data: <pb ,+ ,+ > 70 62 CA 2C 2B 01 00 00 D0 FC C9 2C 2B 01 00 00
{279} normal block at 0x0000012B2CCA6590, 16 bytes long.
Data: < i ,+ > D0 69 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000012B2CCA5F00, 16 bytes long.
Data: < i ,+ > A8 69 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000012B2CC9F4F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000012B2CCA5BE0, 16 bytes long.
Data: < i ,+ > 80 69 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000012B2CC9FFD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000012B2CCA5820, 16 bytes long.
Data: < h ,+ > C8 68 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000012B2CCA5E10, 16 bytes long.
Data: < h ,+ > A0 68 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000012B2CCA6360, 16 bytes long.
Data: <xh ,+ > 78 68 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000012B2CCA5FF0, 16 bytes long.
Data: <Ph ,+ > 50 68 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000012B2CCA5B90, 16 bytes long.
Data: <(h ,+ > 28 68 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000012B2CCA5DC0, 16 bytes long.
Data: < h ,+ > 00 68 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000012B2CCA6130, 16 bytes long.
Data: <P@ ,+ > 50 40 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000012B2CCA4050, 40 bytes long.
Data: <0a ,+ 0 ,+ > 30 61 CA 2C 2B 01 00 00 30 EF C8 2C 2B 01 00 00
{265} normal block at 0x0000012B2CCA6630, 16 bytes long.
Data: < g ,+ > E0 67 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000012B2CCA63B0, 16 bytes long.
Data: < g ,+ > B8 67 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000012B2CC9F5B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000012B2CCA62C0, 16 bytes long.
Data: < g ,+ > 90 67 CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000012B2CCA6790, 992 bytes long.
Data: < b ,+ ,+ > C0 62 CA 2C 2B 01 00 00 B0 F5 C9 2C 2B 01 00 00
{97} normal block at 0x0000012B2CC9F730, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000012B2CC9DD20, 16 bytes long.
Data: <p? ,+ > 70 3F CA 2C 2B 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000012B2CCA3F70, 40 bytes long.
Data: < ,+ 0 ,+ > 20 DD C9 2C 2B 01 00 00 30 F7 C9 2C 2B 01 00 00
{74} normal block at 0x0000012B2CC9D640, 16 bytes long.
Data: < T > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000012B2CC9E040, 16 bytes long.
Data: <@ T > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000012B2CC9DC30, 16 bytes long.
Data: < WQ > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000012B2CC9D730, 16 bytes long.
Data: < WQ > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000012B2CC9E1D0, 16 bytes long.
Data: <P Q > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000012B2CC9D4B0, 16 bytes long.
Data: <0 Q > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000012B2CC9E220, 16 bytes long.
Data: < Q > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000012B2CC9D410, 16 bytes long.
Data: < Q > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000012B2CC9D8C0, 16 bytes long.
Data: <p Q > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000012B2CC9DFF0, 16 bytes long.
Data: < O > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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