Task 38668886
| Name | test_16-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND9582_1 |
| Workunit | 31610754 |
| Created | 25 Oct 2026, 13:02:48 UTC |
| Sent | 25 Oct 2026, 13:02:50 UTC |
| Report deadline | 30 Oct 2026, 13:02:50 UTC |
| Received | 26 Oct 2026, 9:28:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627928 |
| Run time | 18 min 23 sec |
| CPU time | 18 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 84,053.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.98 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:03:56 (28180): wrapper (7.9.26016): starting
14:03:56 (28180): 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
14:03:57 (28180): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:03:57 (28180): 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\32\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\32\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) : {3835131} normal block at 0x000001AA8DA50760, 8 bytes long.
Data: < > 00 00 F3 8D AA 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001AA8F974AD0, 1080 bytes long.
Data: <@] ( > 40 5D 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001AA8DA525D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:24:41 (25272): wrapper (7.9.26016): starting
10:24:41 (25272): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\32\tmp" existiert bereits.
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
10:27:57 (25272): C:/Windows/system32/cmd.exe exited; CPU time 169.421875
10:27:57 (25272): 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: 3761829 bytes.
Dumping objects ->
{1561} normal block at 0x000002ABCAB55460, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1550} normal block at 0x000002ABCAB55770, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1539} normal block at 0x000002ABCAB55A80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1528} normal block at 0x000002ABCAB55850, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1517} normal block at 0x000002ABCAB55B60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1486} normal block at 0x000002ABCAB49920, 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) : {1473} normal block at 0x000002ABCAB56ED0, 8 bytes long.
Data: < > 00 00 AF CA AB 02 00 00
{309} normal block at 0x000002ABCAB56A20, 8 bytes long.
Data: <Pt > 50 74 B5 CA AB 02 00 00
{300} normal block at 0x000002ABCAB47110, 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 0x000002ABCAB56E80, 16 bytes long.
Data: <Xs > 58 73 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002ABCAB56750, 16 bytes long.
Data: <0s > 30 73 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002ABCAB4DD30, 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 0x000002ABCAB564D0, 16 bytes long.
Data: < s > 08 73 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002ABCAB569D0, 16 bytes long.
Data: < r > E0 72 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002ABCAB561B0, 16 bytes long.
Data: < r > B8 72 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002ABCAB56980, 16 bytes long.
Data: < r > 90 72 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002ABCAB55690, 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 0x000002ABCAB56A70, 16 bytes long.
Data: <8 > 38 F0 B3 CA AB 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002ABCAB4DC10, 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 0x000002ABCAB56CA0, 16 bytes long.
Data: < > 10 F0 B3 CA AB 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002ABCAB56BB0, 16 bytes long.
Data: < > E8 EF B3 CA AB 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002ABCAB56160, 16 bytes long.
Data: < > C0 EF B3 CA AB 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002ABCAB56E30, 16 bytes long.
Data: < > 98 EF B3 CA AB 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002ABCAB56110, 16 bytes long.
Data: <p > 70 EF B3 CA AB 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002ABCAB56B60, 16 bytes long.
Data: <H > 48 EF B3 CA AB 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002ABCAB4DB50, 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 0x000002ABCAB56930, 16 bytes long.
Data: < > 20 EF B3 CA AB 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002ABCAB3EF20, 320 bytes long.
Data: <0i P > 30 69 B5 CA AB 02 00 00 50 DB B4 CA AB 02 00 00
{279} normal block at 0x000002ABCAB560C0, 16 bytes long.
Data: <pr > 70 72 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002ABCAB56AC0, 16 bytes long.
Data: <Hr > 48 72 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002ABCAB4E030, 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 0x000002ABCAB565C0, 16 bytes long.
Data: < r > 20 72 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002ABCAB4E6F0, 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 0x000002ABCAB56480, 16 bytes long.
Data: <hq > 68 71 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002ABCAB56430, 16 bytes long.
Data: <@q > 40 71 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002ABCAB56C50, 16 bytes long.
Data: < q > 18 71 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002ABCAB56F70, 16 bytes long.
Data: < p > F0 70 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002ABCAB56660, 16 bytes long.
Data: < p > C8 70 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002ABCAB56570, 16 bytes long.
Data: < p > A0 70 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002ABCAB562F0, 16 bytes long.
Data: <0Y > 30 59 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002ABCAB55930, 40 bytes long.
Data: < b > F0 62 B5 CA AB 02 00 00 20 99 B4 CA AB 02 00 00
{265} normal block at 0x000002ABCAB56340, 16 bytes long.
Data: < p > 80 70 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002ABCAB56DE0, 16 bytes long.
Data: <Xp > 58 70 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002ABCAB4DFD0, 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 0x000002ABCAB56C00, 16 bytes long.
Data: <0p > 30 70 B5 CA AB 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002ABCAB57030, 992 bytes long.
Data: < l > 00 6C B5 CA AB 02 00 00 D0 DF B4 CA AB 02 00 00
{97} normal block at 0x000002ABCAB4DDF0, 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 0x000002ABCAB501F0, 16 bytes long.
Data: < > 80 E2 B3 CA AB 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002ABCAB3E280, 40 bytes long.
Data: < > F0 01 B5 CA AB 02 00 00 F0 DD B4 CA AB 02 00 00
{74} normal block at 0x000002ABCAB503D0, 16 bytes long.
Data: < j > 80 EA 6A 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002ABCAB506A0, 16 bytes long.
Data: <@ j > 40 E9 6A 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002ABCAB508D0, 16 bytes long.
Data: < Wg > F8 57 67 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002ABCAB50880, 16 bytes long.
Data: < Wg > D8 57 67 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002ABCAB50470, 16 bytes long.
Data: <P g > 50 04 67 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002ABCAB50830, 16 bytes long.
Data: <0 g > 30 04 67 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002ABCAB50060, 16 bytes long.
Data: < g > E0 02 67 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002ABCAB4FD90, 16 bytes long.
Data: < g > 10 04 67 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002ABCAB507E0, 16 bytes long.
Data: <p g > 70 04 67 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002ABCAB50560, 16 bytes long.
Data: < e > 18 C0 65 8E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra