| Name | CDK2_A03_A01_r0_3-QUICO_ATM_GAFF2_NAGL_CDK2-2-6-RND4090_0 |
| Workunit | 31564310 |
| Created | 15 Apr 2026, 21:14:52 UTC |
| Sent | 15 Apr 2026, 21:15:06 UTC |
| Report deadline | 20 Apr 2026, 21:15:06 UTC |
| Received | 17 Apr 2026, 4:07:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651945 |
| Run time | 7 hours 17 min 43 sec |
| CPU time | 7 hours 8 min 28 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,350.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 717.90 MB |
| Peak swap size | 8.51 GB |
| Peak disk usage | 3.17 GB |
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:16:46 (22896): wrapper (7.9.26016): starting
17:16:46 (22896): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A01_0.pdb
QB_A03_A01_0.xml
QB_A03_A01.inpcrd
QB_A03_A01_input.yaml
QB_A03_A01.pdb
QB_A03_A01.prmtop
QB_A03_A01_sys.xml
run.bat
run.sh
17:16:47 (22896): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:16:47 (22896): 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) : {3835168} normal block at 0x000001C97E7CD4E0, 8 bytes long.
Data: < t~ > 00 00 74 7E C9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000001C97E7BD730, 1080 bytes long.
Data: < : > AC 3A 00 00 CD CD CD CD A0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C97E7C09F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:48:43 (20044): wrapper (7.9.26016): starting
18:48:43 (20044): 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) : {1514} normal block at 0x000001B4D10F77B0, 8 bytes long.
Data: < > 00 00 07 D1 B4 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001B4D10F8500, 1080 bytes long.
Data: < & > B4 26 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:23:54 (8240): wrapper (7.9.26016): starting
20:23:54 (8240): 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) : {1514} normal block at 0x0000020EFBCD6040, 8 bytes long.
Data: < > 00 00 C5 FB 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000020EFBCD6890, 1080 bytes long.
Data: <xj > 78 6A 00 00 CD CD CD CD A0 01 00 00 00 00 00 00
Object dump complete.
12:54:58 (2572): wrapper (7.9.26016): starting
12:54:58 (2572): 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) : {1514} normal block at 0x00000232726F58C0, 8 bytes long.
Data: < gr2 > 00 00 67 72 32 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000232726F6890, 1080 bytes long.
Data: <(o > 28 6F 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
13:06:33 (21612): wrapper (7.9.26016): starting
13:06:33 (21612): 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) : {1514} normal block at 0x0000029D2EE05CB0, 8 bytes long.
Data: < -/ > 00 00 2D 2F 9D 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000029D2EE06820, 1080 bytes long.
Data: <, > 2C 07 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
13:11:38 (12840): wrapper (7.9.26016): starting
13:11:38 (12840): 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) : {1514} normal block at 0x000001D3F6AA5EE0, 8 bytes long.
Data: < > 00 00 03 F7 D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001D3F6AA6780, 1080 bytes long.
Data: <HL > 48 4C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
14:20:03 (18888): wrapper (7.9.26016): starting
14:20:03 (18888): 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) : {1514} normal block at 0x0000020B75595CD0, 8 bytes long.
Data: < u > 00 00 B0 75 0B 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000020B75596890, 1080 bytes long.
Data: <T7 > 54 37 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
14:51:53 (18944): wrapper (7.9.26016): starting
14:51:53 (18944): 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) : {1514} normal block at 0x000001D04EFF5500, 8 bytes long.
Data: < N > 00 00 F7 4E D0 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001D04EFF6890, 1080 bytes long.
Data: < A > A0 41 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:23:06 (19556): wrapper (7.9.26016): starting
15:23:06 (19556): 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) : {1514} normal block at 0x000002407E9F5B50, 8 bytes long.
Data: < ~@ > 00 00 9C 7E 40 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002407E9F6210, 1080 bytes long.
Data: < Q > E0 51 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
15:32:24 (8216): wrapper (7.9.26016): starting
15:32:24 (8216): 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) : {1514} normal block at 0x000001CC323A5B70, 8 bytes long.
Data: < |2 > 00 00 7C 32 CC 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001CC323A6190, 1080 bytes long.
Data: < O > D8 4F 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
15:46:21 (13688): wrapper (7.9.26016): starting
15:46:21 (13688): 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) : {1514} normal block at 0x00000205BDE95830, 8 bytes long.
Data: < A > 00 00 41 BE 05 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000205BDE96620, 1080 bytes long.
Data: < ` > EC 60 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
16:49:15 (9384): wrapper (7.9.26016): starting
16:49:15 (9384): 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: Exiting with failure status due to previous errors
00:06:57 (9384): C:/Windows/system32/cmd.exe exited; CPU time 25708.718750
00:06:57 (9384): 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: 419421130 bytes.
Dumping objects ->
{1602} normal block at 0x000002292B654E50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1591} normal block at 0x000002292B654BB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1580} normal block at 0x000002292B6549F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1569} normal block at 0x000002292B654910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1558} normal block at 0x000002292B654D00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1527} normal block at 0x000002292B63F2D0, 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) : {1514} normal block at 0x000002292B6559B0, 8 bytes long.
Data: < +) > 00 00 A3 2B 29 02 00 00
{305} normal block at 0x000002292B656270, 8 bytes long.
Data: < he+) > 90 68 65 2B 29 02 00 00
{296} normal block at 0x000002292B642240, 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 0x000002292B655D70, 16 bytes long.
Data: < ge+) > 98 67 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002292B655E60, 16 bytes long.
Data: <pge+) > 70 67 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002292B650EC0, 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 0x000002292B655500, 16 bytes long.
Data: <Hge+) > 48 67 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002292B655AF0, 16 bytes long.
Data: < ge+) > 20 67 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002292B655D20, 16 bytes long.
Data: < fe+) > F8 66 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002292B655820, 16 bytes long.
Data: < fe+) > D0 66 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002292B6548A0, 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 0x000002292B656360, 16 bytes long.
Data: <h d+) > 68 07 64 2B 29 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002292B650E60, 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 0x000002292B655C30, 16 bytes long.
Data: <@ d+) > 40 07 64 2B 29 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002292B6560E0, 16 bytes long.
Data: < d+) > 18 07 64 2B 29 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002292B6557D0, 16 bytes long.
Data: < d+) > F0 06 64 2B 29 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002292B6554B0, 16 bytes long.
Data: < d+) > C8 06 64 2B 29 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002292B655AA0, 16 bytes long.
Data: < d+) > A0 06 64 2B 29 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002292B656310, 16 bytes long.
Data: <x d+) > 78 06 64 2B 29 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002292B650B00, 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 0x000002292B655780, 16 bytes long.
Data: <P d+) > 50 06 64 2B 29 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002292B640650, 320 bytes long.
Data: < We+) e+) > 80 57 65 2B 29 02 00 00 00 0B 65 2B 29 02 00 00
{275} normal block at 0x000002292B656220, 16 bytes long.
Data: < fe+) > B0 66 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002292B655BE0, 16 bytes long.
Data: < fe+) > 88 66 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002292B651160, 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 0x000002292B656130, 16 bytes long.
Data: <`fe+) > 60 66 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002292B650F80, 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 0x000002292B655730, 16 bytes long.
Data: < ee+) > A8 65 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002292B6562C0, 16 bytes long.
Data: < ee+) > 80 65 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002292B655690, 16 bytes long.
Data: <Xee+) > 58 65 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002292B656090, 16 bytes long.
Data: <0ee+) > 30 65 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002292B655B40, 16 bytes long.
Data: < ee+) > 08 65 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002292B655EB0, 16 bytes long.
Data: < de+) > E0 64 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002292B655E10, 16 bytes long.
Data: < Le+) > 90 4C 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002292B654C90, 40 bytes long.
Data: < ^e+) c+) > 10 5E 65 2B 29 02 00 00 D0 F2 63 2B 29 02 00 00
{261} normal block at 0x000002292B6563B0, 16 bytes long.
Data: < de+) > C0 64 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002292B656040, 16 bytes long.
Data: < de+) > 98 64 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002292B650F20, 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 0x000002292B655550, 16 bytes long.
Data: <pde+) > 70 64 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002292B656470, 992 bytes long.
Data: <PUe+) e+) > 50 55 65 2B 29 02 00 00 20 0F 65 2B 29 02 00 00
{93} normal block at 0x000002292B651280, 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 0x000002292B64D580, 16 bytes long.
Data: <pMe+) > 70 4D 65 2B 29 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002292B654D70, 40 bytes long.
Data: < d+) e+) > 80 D5 64 2B 29 02 00 00 80 12 65 2B 29 02 00 00
{70} normal block at 0x000002292B64D3A0, 16 bytes long.
Data: < _ > 80 EA 1F 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002292B64D5D0, 16 bytes long.
Data: <@ _ > 40 E9 1F 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002292B64DD00, 16 bytes long.
Data: < W _ > F8 57 1C 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002292B64D350, 16 bytes long.
Data: < W _ > D8 57 1C 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002292B64D760, 16 bytes long.
Data: <P _ > 50 04 1C 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002292B64DA30, 16 bytes long.
Data: <0 _ > 30 04 1C 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002292B64D8F0, 16 bytes long.
Data: < _ > E0 02 1C 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002292B64D9E0, 16 bytes long.
Data: < _ > 10 04 1C 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002292B64D990, 16 bytes long.
Data: <p _ > 70 04 1C 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002292B64DBC0, 16 bytes long.
Data: < _ > 18 C0 1A 5F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra