Task 38620471
| Name | p38_A04_A03_r0_3-QUICO_ATM_OpenFF_p38-4-6-RND6287_1 |
| Workunit | 31571629 |
| Created | 19 Apr 2026, 8:53:23 UTC |
| Sent | 19 Apr 2026, 8:53:36 UTC |
| Report deadline | 24 Apr 2026, 8:53:36 UTC |
| Received | 20 Apr 2026, 9:08:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632099 |
| Run time | 4 hours 22 min 27 sec |
| CPU time | 4 hours 22 min 27 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 30,034.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.77 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:41:02 (14000): wrapper (7.9.26016): starting
16:41:02 (14000): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A03_0.pdb
QB_A04_A03_0.xml
QB_A04_A03.inpcrd
QB_A04_A03_input.yaml
QB_A04_A03.pdb
QB_A04_A03.prmtop
QB_A04_A03_sys.xml
run.bat
run.sh
16:41:04 (14000): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:41:04 (14000): 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.
tar: run.log: file changed as we read it
20:48:13 (14000): C:/Windows/system32/cmd.exe exited; CPU time 15747.296875
20:48:13 (14000): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 189101049 bytes.
Dumping objects ->
{3835332} normal block at 0x0000022DFB7B0920, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835321} normal block at 0x0000022DFB7B0A70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835310} normal block at 0x0000022DFB7B0D10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835299} normal block at 0x0000022DFB7B15D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835288} normal block at 0x0000022DFB7B0CA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835257} normal block at 0x0000022DFB8A1C80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x0000022DFB7C0E20, 160 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) : {3835243} normal block at 0x0000022DF9B48520, 8 bytes long.
Data: < ¬ù- > 00 00 AC F9 2D 02 00 00
{3834597} normal block at 0x0000022DFB7C0F00, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x0000022DF9B492E0, 8 bytes long.
Data: < û- > 20 1B 90 FB 2D 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022DF9B523D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000022DF9B3DC40, 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 0x0000022DF9B53280, 16 bytes long.
Data: <xFµù- > 78 46 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000022DF9B540E0, 16 bytes long.
Data: <PFµù- > 50 46 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022DF9B4F0D0, 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 0x0000022DF9B536E0, 16 bytes long.
Data: <(Fµù- > 28 46 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022DF9B53910, 16 bytes long.
Data: < Fµù- > 00 46 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022DF9B53460, 16 bytes long.
Data: <ØEµù- > D8 45 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022DF9B54090, 16 bytes long.
Data: <°Eµù- > B0 45 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022DF9B4D7E0, 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 0x0000022DF9B54040, 16 bytes long.
Data: < ^³ù- > 88 5E B3 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022DF9B4EEF0, 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 0x0000022DF9B53FF0, 16 bytes long.
Data: <`^³ù- > 60 5E B3 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022DF9B53640, 16 bytes long.
Data: <8^³ù- > 38 5E B3 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022DF9B53F00, 16 bytes long.
Data: < ^³ù- > 10 5E B3 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022DF9B53230, 16 bytes long.
Data: <è]³ù- > E8 5D B3 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022DF9B53EB0, 16 bytes long.
Data: <À]³ù- > C0 5D B3 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022DF9B53FA0, 16 bytes long.
Data: < ]³ù- > 98 5D B3 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022DF9B4F5B0, 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 0x0000022DF9B53E60, 16 bytes long.
Data: <p]³ù- > 70 5D B3 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022DF9B35D70, 320 bytes long.
Data: <`>µù- °õ´ù- > 60 3E B5 F9 2D 02 00 00 B0 F5 B4 F9 2D 02 00 00
{279} normal block at 0x0000022DF9B53690, 16 bytes long.
Data: < Eµù- > 90 45 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022DF9B538C0, 16 bytes long.
Data: <hEµù- > 68 45 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022DF9B4EB30, 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 0x0000022DF9B53E10, 16 bytes long.
Data: <@Eµù- > 40 45 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022DF9B4F790, 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 0x0000022DF9B533C0, 16 bytes long.
Data: < Dµù- > 88 44 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022DF9B53D20, 16 bytes long.
Data: <`Dµù- > 60 44 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022DF9B53CD0, 16 bytes long.
Data: <8Dµù- > 38 44 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022DF9B53C80, 16 bytes long.
Data: < Dµù- > 10 44 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022DF9B53730, 16 bytes long.
Data: <èCµù- > E8 43 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022DF9B53B40, 16 bytes long.
Data: <ÀCµù- > C0 43 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022DF9B534B0, 16 bytes long.
Data: <°Õ´ù- > B0 D5 B4 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022DF9B4D5B0, 40 bytes long.
Data: <°4µù- Šû- > B0 34 B5 F9 2D 02 00 00 80 1C 8A FB 2D 02 00 00
{265} normal block at 0x0000022DF9B53AA0, 16 bytes long.
Data: < Cµù- > A0 43 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022DF9B53B90, 16 bytes long.
Data: <xCµù- > 78 43 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022DF9B4EA70, 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 0x0000022DF9B53320, 16 bytes long.
Data: <PCµù- > 50 43 B5 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022DF9B54350, 992 bytes long.
Data: < 3µù- pê´ù- > 20 33 B5 F9 2D 02 00 00 70 EA B4 F9 2D 02 00 00
{97} normal block at 0x0000022DF9B4F550, 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 0x0000022DF9B49060, 16 bytes long.
Data: <`Ô´ù- > 60 D4 B4 F9 2D 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000022DF9B4D460, 40 bytes long.
Data: <` ´ù- Põ´ù- > 60 90 B4 F9 2D 02 00 00 50 F5 B4 F9 2D 02 00 00
{74} normal block at 0x0000022DF9B48ED0, 16 bytes long.
Data: < ê²]÷ > 80 EA B2 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000022DF9B48C00, 16 bytes long.
Data: <@é²]÷ > 40 E9 B2 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022DF9B490B0, 16 bytes long.
Data: <øW¯]÷ > F8 57 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022DF9B484D0, 16 bytes long.
Data: <ØW¯]÷ > D8 57 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022DF9B49010, 16 bytes long.
Data: <P ¯]÷ > 50 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022DF9B49150, 16 bytes long.
Data: <0 ¯]÷ > 30 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022DF9B48D40, 16 bytes long.
Data: <à ¯]÷ > E0 02 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022DF9B48480, 16 bytes long.
Data: < ¯]÷ > 10 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022DF9B48FC0, 16 bytes long.
Data: <p ¯]÷ > 70 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022DF9B48F70, 16 bytes long.
Data: < À­]÷ > 18 C0 AD 5D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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