Task 38659883
| Name | test_1760-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5132_0 |
| Workunit | 31603420 |
| Created | 24 Oct 2026, 13:39:34 UTC |
| Sent | 24 Oct 2026, 16:39:08 UTC |
| Report deadline | 29 Oct 2026, 16:39:08 UTC |
| Received | 25 Oct 2026, 5:16:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607579 |
| Run time | 22 min 34 sec |
| CPU time | 20 min 58 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.00 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:25:10 (30912): wrapper (7.9.26016): starting
19:25:10 (30912): 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
19:25:11 (30912): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:25:11 (30912): 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) : {3835481} normal block at 0x0000021718B7FAD0, 8 bytes long.
Data: < > 00 00 B0 18 17 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000021718C5E5E0, 1080 bytes long.
Data: < $ > DC B3 00 00 CD CD CD CD 24 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021718B81910, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:49:34 (44008): wrapper (7.9.26016): starting
19:49:34 (44008): 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) : {1823} normal block at 0x0000020E9DFB5CE0, 8 bytes long.
Data: < > 00 00 F7 9D 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000020E9DFB6CB0, 1080 bytes long.
Data: < ( > DC 1B 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
21:05:17 (49568): wrapper (7.9.26016): starting
21:05:17 (49568): 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) : {1823} normal block at 0x000001D7CA017E90, 8 bytes long.
Data: < V > 00 00 56 CA D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001D7CA018460, 1080 bytes long.
Data: < > 04 B3 00 00 CD CD CD CD C8 00 00 00 00 00 00 00
Object dump complete.
21:11:17 (26156): wrapper (7.9.26016): starting
21:11:17 (26156): 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
21:14:46 (26156): C:/Windows/system32/cmd.exe exited; CPU time 189.718750
21:14:46 (26156): 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: 5021458 bytes.
Dumping objects ->
{1911} normal block at 0x000001FC2A734E80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1900} normal block at 0x000001FC2A7350B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1889} normal block at 0x000001FC2A734E10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1878} normal block at 0x000001FC2A734B00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1867} normal block at 0x000001FC2A734C50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1836} normal block at 0x000001FC2A729460, 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) : {1823} normal block at 0x000001FC2A7358D0, 8 bytes long.
Data: < p* > 00 00 70 2A FC 01 00 00
{309} normal block at 0x000001FC2A735E20, 8 bytes long.
Data: < ls* > B0 6C 73 2A FC 01 00 00
{300} normal block at 0x000001FC2A7261A0, 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 0x000001FC2A736820, 16 bytes long.
Data: < ks* > B8 6B 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FC2A7363C0, 16 bytes long.
Data: < ks* > 90 6B 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FC2A72D9F0, 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 0x000001FC2A735A10, 16 bytes long.
Data: <hks* > 68 6B 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FC2A7365F0, 16 bytes long.
Data: <@ks* > 40 6B 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FC2A736230, 16 bytes long.
Data: < ks* > 18 6B 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FC2A7365A0, 16 bytes long.
Data: < js* > F0 6A 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FC2A735040, 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 0x000001FC2A736370, 16 bytes long.
Data: <X q* > 58 F6 71 2A FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FC2A72D630, 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 0x000001FC2A735EC0, 16 bytes long.
Data: <0 q* > 30 F6 71 2A FC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FC2A7361E0, 16 bytes long.
Data: < q* > 08 F6 71 2A FC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FC2A736140, 16 bytes long.
Data: < q* > E0 F5 71 2A FC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FC2A736550, 16 bytes long.
Data: < q* > B8 F5 71 2A FC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FC2A7367D0, 16 bytes long.
Data: < q* > 90 F5 71 2A FC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FC2A736500, 16 bytes long.
Data: <h q* > 68 F5 71 2A FC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FC2A72DDB0, 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 0x000001FC2A736640, 16 bytes long.
Data: <@ q* > 40 F5 71 2A FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FC2A71F540, 320 bytes long.
Data: <@fs* r* > 40 66 73 2A FC 01 00 00 B0 DD 72 2A FC 01 00 00
{279} normal block at 0x000001FC2A735BA0, 16 bytes long.
Data: < js* > D0 6A 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FC2A736190, 16 bytes long.
Data: < js* > A8 6A 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FC2A72D7B0, 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 0x000001FC2A7360F0, 16 bytes long.
Data: < js* > 80 6A 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FC2A72E410, 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 0x000001FC2A736780, 16 bytes long.
Data: < is* > C8 69 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FC2A735F60, 16 bytes long.
Data: < is* > A0 69 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FC2A735DD0, 16 bytes long.
Data: <xis* > 78 69 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FC2A735E70, 16 bytes long.
Data: <Pis* > 50 69 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FC2A735BF0, 16 bytes long.
Data: <(is* > 28 69 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FC2A7362D0, 16 bytes long.
Data: < is* > 00 69 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FC2A736690, 16 bytes long.
Data: < Os* > D0 4F 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FC2A734FD0, 40 bytes long.
Data: < fs* ` r* > 90 66 73 2A FC 01 00 00 60 94 72 2A FC 01 00 00
{265} normal block at 0x000001FC2A736320, 16 bytes long.
Data: < hs* > E0 68 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FC2A735C90, 16 bytes long.
Data: < hs* > B8 68 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FC2A72D990, 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 0x000001FC2A7364B0, 16 bytes long.
Data: < hs* > 90 68 73 2A FC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FC2A736890, 992 bytes long.
Data: < ds* r* > B0 64 73 2A FC 01 00 00 90 D9 72 2A FC 01 00 00
{97} normal block at 0x000001FC2A72E290, 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 0x000001FC2A72F940, 16 bytes long.
Data: < r* > 90 EE 72 2A FC 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001FC2A72EE90, 40 bytes long.
Data: <@ r* r* > 40 F9 72 2A FC 01 00 00 90 E2 72 2A FC 01 00 00
{74} normal block at 0x000001FC2A72FE40, 16 bytes long.
Data: < . > 80 EA 2E BC F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FC2A72F620, 16 bytes long.
Data: <@ . > 40 E9 2E BC F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FC2A72F490, 16 bytes long.
Data: < W+ > F8 57 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FC2A72F530, 16 bytes long.
Data: < W+ > D8 57 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FC2A72F300, 16 bytes long.
Data: <P + > 50 04 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FC2A72F990, 16 bytes long.
Data: <0 + > 30 04 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FC2A72F8F0, 16 bytes long.
Data: < + > E0 02 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FC2A72F440, 16 bytes long.
Data: < + > 10 04 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FC2A72FB20, 16 bytes long.
Data: <p + > 70 04 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FC2A72F760, 16 bytes long.
Data: < ) > 18 C0 29 BC F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra