Task 38633825
| Name | JNK1_RE_A15_A20_r0_4-QUICO_ATM_GAFF2_NAGL_JNK1_RE-4-6-RND3432_0 |
| Workunit | 31582505 |
| Created | 27 Apr 2026, 12:05:29 UTC |
| Sent | 27 Apr 2026, 12:05:31 UTC |
| Report deadline | 2 May 2026, 12:05:31 UTC |
| Received | 1 May 2026, 12:49:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638317 |
| Run time | 3 hours 37 min 5 sec |
| CPU time | 3 hours 37 min 5 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 45,026.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 800.50 MB |
| Peak swap size | 10.09 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:38:34 (22688): wrapper (7.9.26016): starting
19:38:34 (22688): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A20_0.pdb
QB_A15_A20_0.xml
QB_A15_A20.inpcrd
QB_A15_A20_input.yaml
QB_A15_A20.pdb
QB_A15_A20.prmtop
QB_A15_A20_sys.xml
run.bat
run.sh
19:38:35 (22688): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:38:35 (22688): 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\1\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\1\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) : {3835468} normal block at 0x0000013DA672DA70, 8 bytes long.
Data: < = > 00 00 C5 A6 3D 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834048} normal block at 0x0000013DA8982DE0, 1080 bytes long.
Data: < > DC 0C 00 00 CD CD CD CD 00 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000013DA6720E10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:01:40 (19588): wrapper (7.9.26016): starting
20:01:40 (19588): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
21:47:50 (19588): C:/Windows/system32/cmd.exe exited; CPU time 6574.234375
21:47:50 (19588): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 124878952 bytes.
Dumping objects ->
{1812} normal block at 0x000001FB315B47E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1801} normal block at 0x000001FB315B4CB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1790} normal block at 0x000001FB315B4A80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1779} normal block at 0x000001FB315B4930, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1768} normal block at 0x000001FB315B4E00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1737} normal block at 0x000001FB315A0730, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1726} normal block at 0x000001FB3159ED20, 141 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) : {1723} normal block at 0x000001FB315B5310, 8 bytes long.
Data: < 1 > 00 00 9B 31 FB 01 00 00
{1003} normal block at 0x000001FB3159B440, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x000001FB315B54F0, 8 bytes long.
Data: < f[1 > F0 66 5B 31 FB 01 00 00
{295} normal block at 0x000001FB315A2400, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001FB315B5F90, 16 bytes long.
Data: < e[1 > F8 65 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FB315B5450, 16 bytes long.
Data: < e[1 > D0 65 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FB315B0940, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001FB315B5B30, 16 bytes long.
Data: < e[1 > A8 65 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FB315B5F40, 16 bytes long.
Data: < e[1 > 80 65 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FB315B5900, 16 bytes long.
Data: <Xe[1 > 58 65 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FB315B5EF0, 16 bytes long.
Data: <0e[1 > 30 65 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FB315B4D20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001FB315B5400, 16 bytes long.
Data: < Y1 > D8 B3 59 31 FB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FB315B0EE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001FB315B6210, 16 bytes long.
Data: < Y1 > B0 B3 59 31 FB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FB315B5A90, 16 bytes long.
Data: < Y1 > 88 B3 59 31 FB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FB315B5E00, 16 bytes long.
Data: <` Y1 > 60 B3 59 31 FB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FB315B5DB0, 16 bytes long.
Data: <8 Y1 > 38 B3 59 31 FB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FB315B5720, 16 bytes long.
Data: < Y1 > 10 B3 59 31 FB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FB315B6120, 16 bytes long.
Data: < Y1 > E8 B2 59 31 FB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FB315B1420, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001FB315B59A0, 16 bytes long.
Data: < Y1 > C0 B2 59 31 FB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FB3159B2C0, 320 bytes long.
Data: < Y[1 [1 > A0 59 5B 31 FB 01 00 00 20 14 5B 31 FB 01 00 00
{274} normal block at 0x000001FB315B5770, 16 bytes long.
Data: < e[1 > 10 65 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FB315B53B0, 16 bytes long.
Data: < d[1 > E8 64 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FB315B10C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001FB315B59F0, 16 bytes long.
Data: < d[1 > C0 64 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FB315B0FA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001FB315B5AE0, 16 bytes long.
Data: < d[1 > 08 64 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FB315B5BD0, 16 bytes long.
Data: < c[1 > E0 63 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FB315B5D10, 16 bytes long.
Data: < c[1 > B8 63 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FB315B6260, 16 bytes long.
Data: < c[1 > 90 63 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FB315B54A0, 16 bytes long.
Data: <hc[1 > 68 63 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FB315B61C0, 16 bytes long.
Data: <@c[1 > 40 63 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FB315B5E50, 16 bytes long.
Data: < J[1 > 10 4A 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FB315B4A10, 40 bytes long.
Data: <P^[1 0 Z1 > 50 5E 5B 31 FB 01 00 00 30 07 5A 31 FB 01 00 00
{260} normal block at 0x000001FB315B5A40, 16 bytes long.
Data: < c[1 > 20 63 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FB315B5D60, 16 bytes long.
Data: < b[1 > F8 62 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FB315B0700, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001FB315B5810, 16 bytes long.
Data: < b[1 > D0 62 5B 31 FB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FB315B62D0, 992 bytes long.
Data: < X[1 [1 > 10 58 5B 31 FB 01 00 00 00 07 5B 31 FB 01 00 00
{92} normal block at 0x000001FB315B11E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001FB315AD7D0, 16 bytes long.
Data: < Y1 > 80 DB 59 31 FB 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001FB3159DB80, 40 bytes long.
Data: < Z1 [1 > D0 D7 5A 31 FB 01 00 00 E0 11 5B 31 FB 01 00 00
{67} normal block at 0x000001FB315AD960, 16 bytes long.
Data: < 0 > 80 EA A2 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FB315ADDC0, 16 bytes long.
Data: <@ 0 > 40 E9 A2 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FB315AD870, 16 bytes long.
Data: < W 0 > F8 57 9F 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FB315ADD70, 16 bytes long.
Data: < W 0 > D8 57 9F 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FB315AD0F0, 16 bytes long.
Data: <P 0 > 50 04 9F 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FB315ADCD0, 16 bytes long.
Data: <0 0 > 30 04 9F 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FB315ADA50, 16 bytes long.
Data: < 0 > E0 02 9F 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FB315ADC80, 16 bytes long.
Data: < 0 > 10 04 9F 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FB315AD370, 16 bytes long.
Data: <p 0 > 70 04 9F 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FB315AD910, 16 bytes long.
Data: < 0 > 18 C0 9D 30 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra