Task 38681341
| Name | test_143-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7187_0 |
| Workunit | 31623010 |
| Created | 27 Oct 2026, 3:35:21 UTC |
| Sent | 27 Oct 2026, 3:35:25 UTC |
| Report deadline | 1 Nov 2026, 3:35:25 UTC |
| Received | 27 Oct 2026, 11:32:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617663 |
| Run time | 26 min 29 sec |
| CPU time | 24 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.40 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:36:16 (2904): wrapper (7.9.26016): starting
22:36:16 (2904): 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
22:36:17 (2904): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:36:17 (2904): 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 'F:\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 'F:\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) : {3835106} normal block at 0x0000024DB425EEB0, 8 bytes long.
Data: < m M > 00 00 6D B4 4D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000024DB5FA4440, 1080 bytes long.
Data: < k > 8C 6B 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024DB4257160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:58:40 (9732): wrapper (7.9.26016): starting
22:58:40 (9732): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x0000024FAC937A00, 8 bytes long.
Data: < O > 00 00 C9 AC 4F 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000024FAC938290, 1080 bytes long.
Data: < S > 98 53 00 00 CD CD CD CD BC 00 00 00 00 00 00 00
Object dump complete.
23:03:48 (32184): wrapper (7.9.26016): starting
23:03:48 (32184): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x000001E846CB75D0, 8 bytes long.
Data: < F > 00 00 C4 46 E8 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001E846CB7690, 1080 bytes long.
Data: < H > 08 0E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
23:13:51 (30948): wrapper (7.9.26016): starting
23:13:51 (30948): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x000002485E3F6C60, 8 bytes long.
Data: < ^H > 00 00 85 5E 48 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002485E3F7270, 1080 bytes long.
Data: <| P > 7C 08 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
23:19:15 (24148): wrapper (7.9.26016): starting
23:19:15 (24148): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x0000021E3AEE7080, 8 bytes long.
Data: < ; > 00 00 1D 3B 1E 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000021E3AEE7550, 1080 bytes long.
Data: < P > E8 83 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
06:26:10 (30996): wrapper (7.9.26016): starting
06:26:10 (30996): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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) : {1452} normal block at 0x0000013FCC0C7080, 8 bytes long.
Data: < S ? > 00 00 53 CC 3F 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000013FCC0C7690, 1080 bytes long.
Data: < , > 98 19 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
06:31:00 (25660): wrapper (7.9.26016): starting
06:31:00 (25660): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\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
06:32:27 (25660): C:/Windows/system32/cmd.exe exited; CPU time 57.281250
06:32:27 (25660): 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: 1704308 bytes.
Dumping objects ->
{1540} normal block at 0x00000258AEC45A90, 48 bytes long.
Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x00000258AEC45710, 48 bytes long.
Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{1518} normal block at 0x00000258AEC458D0, 48 bytes long.
Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61
{1507} normal block at 0x00000258AEC45A20, 48 bytes long.
Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{1496} normal block at 0x00000258AEC45860, 48 bytes long.
Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61
{1465} normal block at 0x00000258AEC30330, 64 bytes long.
Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1452} normal block at 0x00000258AEC469F0, 8 bytes long.
Data: < X > 00 00 0C AF 58 02 00 00
{305} normal block at 0x00000258AEC466D0, 8 bytes long.
Data: < v X > 90 76 C4 AE 58 02 00 00
{296} normal block at 0x00000258AEC37F30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000258AEC47620, 16 bytes long.
Data: < e X > 88 65 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000258AEC470D0, 16 bytes long.
Data: <`e X > 60 65 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000258AEC41270, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000258AEC47530, 16 bytes long.
Data: <8e X > 38 65 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000258AEC47490, 16 bytes long.
Data: < e X > 10 65 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000258AEC46720, 16 bytes long.
Data: < d X > E8 64 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000258AEC46FE0, 16 bytes long.
Data: < d X > C0 64 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000258AEC45470, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000258AEC47300, 16 bytes long.
Data: <h X > 68 CE C2 AE 58 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000258AEC41810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000258AEC46810, 16 bytes long.
Data: <@ X > 40 CE C2 AE 58 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000258AEC46B80, 16 bytes long.
Data: < X > 18 CE C2 AE 58 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000258AEC46C70, 16 bytes long.
Data: < X > F0 CD C2 AE 58 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000258AEC46F90, 16 bytes long.
Data: < X > C8 CD C2 AE 58 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000258AEC467C0, 16 bytes long.
Data: < X > A0 CD C2 AE 58 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000258AEC47580, 16 bytes long.
Data: <x X > 78 CD C2 AE 58 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000258AEC41990, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000258AEC46F40, 16 bytes long.
Data: <P X > 50 CD C2 AE 58 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000258AEC2CD50, 320 bytes long.
Data: <@o X X > 40 6F C4 AE 58 02 00 00 90 19 C4 AE 58 02 00 00
{275} normal block at 0x00000258AEC46EF0, 16 bytes long.
Data: < d X > A0 64 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000258AEC475D0, 16 bytes long.
Data: <xd X > 78 64 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000258AEC41210, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000258AEC46AE0, 16 bytes long.
Data: <Pd X > 50 64 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000258AEC411B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000258AEC46EA0, 16 bytes long.
Data: < c X > 98 63 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000258AEC472B0, 16 bytes long.
Data: <pc X > 70 63 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000258AEC468B0, 16 bytes long.
Data: <Hc X > 48 63 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000258AEC46900, 16 bytes long.
Data: < c X > 20 63 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000258AEC47080, 16 bytes long.
Data: < b X > F8 62 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000258AEC3EFF0, 16 bytes long.
Data: < b X > D0 62 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000258AEC3F540, 16 bytes long.
Data: < T X > E0 54 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000258AEC454E0, 40 bytes long.
Data: <@ X 0 X > 40 F5 C3 AE 58 02 00 00 30 03 C3 AE 58 02 00 00
{261} normal block at 0x00000258AEC3EFA0, 16 bytes long.
Data: < b X > B0 62 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000258AEC3EE10, 16 bytes long.
Data: < b X > 88 62 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000258AEC41570, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000258AEC3F450, 16 bytes long.
Data: <`b X > 60 62 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000258AEC46260, 992 bytes long.
Data: <P X p X > 50 F4 C3 AE 58 02 00 00 70 15 C4 AE 58 02 00 00
{93} normal block at 0x00000258AEC40EB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000258AEC3F310, 16 bytes long.
Data: < W X > F0 57 C4 AE 58 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000258AEC457F0, 40 bytes long.
Data: < X X > 10 F3 C3 AE 58 02 00 00 B0 0E C4 AE 58 02 00 00
{70} normal block at 0x00000258AEC3F860, 16 bytes long.
Data: < ' > 80 EA 27 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000258AEC3EF50, 16 bytes long.
Data: <@ ' > 40 E9 27 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000258AEC3EB40, 16 bytes long.
Data: < W$ > F8 57 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000258AEC3EAF0, 16 bytes long.
Data: < W$ > D8 57 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000258AEC3F220, 16 bytes long.
Data: <P $ > 50 04 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000258AEC3F6D0, 16 bytes long.
Data: <0 $ > 30 04 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000258AEC3F360, 16 bytes long.
Data: < $ > E0 02 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000258AEC3F770, 16 bytes long.
Data: < $ > 10 04 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000258AEC3F950, 16 bytes long.
Data: <p $ > 70 04 24 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000258AEC3EAA0, 16 bytes long.
Data: < " > 18 C0 22 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra