Task 38684061
| Name | test_69-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8622_0 |
| Workunit | 31625587 |
| Created | 27 Oct 2026, 14:33:56 UTC |
| Sent | 27 Oct 2026, 14:34:14 UTC |
| Report deadline | 1 Nov 2026, 14:34:14 UTC |
| Received | 27 Oct 2026, 17:18:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639498 |
| Run time | 1 hours 25 min 31 sec |
| CPU time | 1 hours 18 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,085.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 665.07 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:47:30 (6392): wrapper (7.9.26016): starting
09:47:30 (6392): 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
09:47:34 (6392): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:47:34 (6392): 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\2\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\2\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) : {3835190} normal block at 0x0000022FAD116A30, 8 bytes long.
Data: < / > 00 00 0F AD 2F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000022FAEB84BA0, 1080 bytes long.
Data: < < > E4 05 00 00 CD CD CD CD 3C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000022FAD120530, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:15:06 (6196): wrapper (7.9.26016): starting
10:15:06 (6196): 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\2\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
11:17:39 (6196): C:/Windows/system32/cmd.exe exited; CPU time 3597.890625
11:17:39 (6196): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 42134600 bytes.
Dumping objects ->
{1632} normal block at 0x000001F80CE9D8A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1621} normal block at 0x000001F80CE9D910, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1610} normal block at 0x000001F80CE9D7C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1599} normal block at 0x000001F80CE9D980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1588} normal block at 0x000001F80CE9D750, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1557} normal block at 0x000001F80CEA2200, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1546} normal block at 0x000001F80CEA3EF0, 235 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) : {1543} normal block at 0x000001F80CEA2DF0, 8 bytes long.
Data: < r > 00 00 72 0E F8 01 00 00
{926} normal block at 0x000001F80CEA3A30, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{298} normal block at 0x000001F80CEA2DA0, 8 bytes long.
Data: < F > F0 46 EA 0C F8 01 00 00
{289} normal block at 0x000001F80CE8D2C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001F80CEA2D50, 16 bytes long.
Data: < E > F8 45 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F80CEA28F0, 16 bytes long.
Data: < E > D0 45 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F80CE9DFD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001F80CEA23F0, 16 bytes long.
Data: < E > A8 45 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F80CEA2850, 16 bytes long.
Data: < E > 80 45 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F80CEA27B0, 16 bytes long.
Data: <XE > 58 45 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F80CEA2760, 16 bytes long.
Data: <0E > 30 45 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F80CE9D600, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001F80CEA28A0, 16 bytes long.
Data: < ! > 98 21 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F80CE9E690, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001F80CEA2F80, 16 bytes long.
Data: <p! > 70 21 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F80CEA2D00, 16 bytes long.
Data: <H! > 48 21 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F80CEA2940, 16 bytes long.
Data: < ! > 20 21 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F80CEA23A0, 16 bytes long.
Data: < > F8 20 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F80CEA2800, 16 bytes long.
Data: < > D0 20 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F80CEA2CB0, 16 bytes long.
Data: < > A8 20 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F80CE9EB10, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x000001F80CEA2620, 16 bytes long.
Data: < > 80 20 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F80CEA2080, 320 bytes long.
Data: < & > 20 26 EA 0C F8 01 00 00 10 EB E9 0C F8 01 00 00
{268} normal block at 0x000001F80CEA24E0, 16 bytes long.
Data: < E > 10 45 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F80CEA26C0, 16 bytes long.
Data: < D > E8 44 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F80CE9EAB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001F80CEA3250, 16 bytes long.
Data: < D > C0 44 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F80CE9E630, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001F80CEA2B70, 16 bytes long.
Data: < D > 08 44 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F80CEA2350, 16 bytes long.
Data: < C > E0 43 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F80CEA2B20, 16 bytes long.
Data: < C > B8 43 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F80CEA2440, 16 bytes long.
Data: < C > 90 43 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F80CEA3160, 16 bytes long.
Data: <hC > 68 43 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F80CEA2670, 16 bytes long.
Data: <@C > 40 43 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F80CEA2530, 16 bytes long.
Data: < > E0 D6 E9 0C F8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F80CE9D6E0, 40 bytes long.
Data: <0% " > 30 25 EA 0C F8 01 00 00 00 22 EA 0C F8 01 00 00
{254} normal block at 0x000001F80CEA3200, 16 bytes long.
Data: < C > 20 43 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F80CEA2F30, 16 bytes long.
Data: < B > F8 42 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F80CE9DEB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001F80CEA2300, 16 bytes long.
Data: < B > D0 42 EA 0C F8 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001F80CEA42D0, 992 bytes long.
Data: < # > 00 23 EA 0C F8 01 00 00 B0 DE E9 0C F8 01 00 00
{86} normal block at 0x000001F80CE9E570, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001F80CE97F90, 16 bytes long.
Data: < > 90 D5 E9 0C F8 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001F80CE9D590, 40 bytes long.
Data: < p > 90 7F E9 0C F8 01 00 00 70 E5 E9 0C F8 01 00 00
{63} normal block at 0x000001F80CE97310, 16 bytes long.
Data: < f > 80 EA ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F80CE97A40, 16 bytes long.
Data: <@ f > 40 E9 ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F80CE97E50, 16 bytes long.
Data: < W f > F8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F80CE97C70, 16 bytes long.
Data: < W f > D8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F80CE97BD0, 16 bytes long.
Data: <P f > 50 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F80CE97B30, 16 bytes long.
Data: <0 f > 30 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F80CE97680, 16 bytes long.
Data: < f > E0 02 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F80CE97CC0, 16 bytes long.
Data: < f > 10 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001F80CE972C0, 16 bytes long.
Data: <p f > 70 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001F80CE978B0, 16 bytes long.
Data: < f > 18 C0 E8 66 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra