Task 38581299
| Name | HIF2A_A02_A11_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND4858_0 |
| Workunit | 31545825 |
| Created | 12 Dec 2025, 10:43:48 UTC |
| Sent | 12 Dec 2025, 10:43:56 UTC |
| Report deadline | 17 Dec 2025, 10:43:56 UTC |
| Received | 12 Dec 2025, 13:44:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637164 |
| Run time | 3 hours 0 min 13 sec |
| CPU time | 3 hours 5 min 47 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,359.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 550.11 MB |
| Peak swap size | 24.76 GB |
| Peak disk usage | 2.94 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
04:46:37 (50012): wrapper (7.9.26016): starting
04:46:37 (50012): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A11_0.pdb
QB_A02_A11_0.xml
QB_A02_A11_equil.pdb
QB_A02_A11.inpcrd
QB_A02_A11_input.yaml
QB_A02_A11_mdlambda.pdb
QB_A02_A11_min.pdb
QB_A02_A11_npt.pdb
QB_A02_A11.pdb
QB_A02_A11.prmtop
QB_A02_A11_sys.xml
QB_A02_A11_therm.pdb
run.bat
run.sh
04:46:38 (50012): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:46:38 (50012): 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\125\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\125\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
07:43:33 (50012): C:/Windows/system32/cmd.exe exited; CPU time 11147.062500
07:43:33 (50012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 300618579 bytes.
Dumping objects ->
{3835318} normal block at 0x0000019C87592C50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x0000019C87592470, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835296} normal block at 0x0000019C875922B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835285} normal block at 0x0000019C875926A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835274} normal block at 0x0000019C87592B00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835243} normal block at 0x0000019C87590CF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x0000019C8761E2F0, 102 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) : {3835229} normal block at 0x0000019C8578D200, 8 bytes long.
Data: < Ä…œ > 00 00 C4 85 9C 01 00 00
{3834578} normal block at 0x0000019C8761F000, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000019C8578DE30, 8 bytes long.
Data: <ÀHf‡œ > C0 48 66 87 9C 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019C85780700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019C85782040, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000019C85795F70, 16 bytes long.
Data: < iy…œ > 98 69 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019C85796420, 16 bytes long.
Data: <piy…œ > 70 69 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019C85791070, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000019C857958E0, 16 bytes long.
Data: <Hiy…œ > 48 69 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019C85795F20, 16 bytes long.
Data: < iy…œ > 20 69 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019C85796560, 16 bytes long.
Data: <øhy…œ > F8 68 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019C85795930, 16 bytes long.
Data: <Ðhy…œ > D0 68 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019C85793BB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000019C85796290, 16 bytes long.
Data: <H y…œ > 48 08 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019C85791730, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000019C85795ED0, 16 bytes long.
Data: < y…œ > 20 08 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019C857963D0, 16 bytes long.
Data: <ø y…œ > F8 07 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019C85796150, 16 bytes long.
Data: <Ð y…œ > D0 07 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019C857961F0, 16 bytes long.
Data: <¨ y…œ > A8 07 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019C85795DE0, 16 bytes long.
Data: < y…œ > 80 07 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019C85795E80, 16 bytes long.
Data: <X y…œ > 58 07 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019C85791550, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000019C85796510, 16 bytes long.
Data: <0 y…œ > 30 07 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019C85790730, 320 bytes long.
Data: < ey…œ P y…œ > 10 65 79 85 9C 01 00 00 50 15 79 85 9C 01 00 00
{276} normal block at 0x0000019C85796240, 16 bytes long.
Data: <°hy…œ > B0 68 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019C857964C0, 16 bytes long.
Data: < hy…œ > 88 68 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019C85791130, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000019C85795FC0, 16 bytes long.
Data: <`hy…œ > 60 68 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019C85791610, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000019C857962E0, 16 bytes long.
Data: <¨gy…œ > A8 67 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019C85795890, 16 bytes long.
Data: < gy…œ > 80 67 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019C85795D40, 16 bytes long.
Data: <Xgy…œ > 58 67 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019C85795CF0, 16 bytes long.
Data: <0gy…œ > 30 67 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019C857957F0, 16 bytes long.
Data: < gy…œ > 08 67 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019C85795CA0, 16 bytes long.
Data: <àfy…œ > E0 66 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019C85795E30, 16 bytes long.
Data: <@;y…œ > 40 3B 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019C85793B40, 40 bytes long.
Data: <0^y…œ ð Y‡œ > 30 5E 79 85 9C 01 00 00 F0 0C 59 87 9C 01 00 00
{262} normal block at 0x0000019C85795B60, 16 bytes long.
Data: <Àfy…œ > C0 66 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019C85795C50, 16 bytes long.
Data: < fy…œ > 98 66 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019C85790950, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000019C85795B10, 16 bytes long.
Data: <pfy…œ > 70 66 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019C85796670, 992 bytes long.
Data: < [y…œ P y…œ > 10 5B 79 85 9C 01 00 00 50 09 79 85 9C 01 00 00
{94} normal block at 0x0000019C857913D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000019C8578D1B0, 16 bytes long.
Data: <08y…œ > 30 38 79 85 9C 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000019C85793830, 40 bytes long.
Data: <°Ñx…œ Ð y…œ > B0 D1 78 85 9C 01 00 00 D0 13 79 85 9C 01 00 00
{71} normal block at 0x0000019C8578DD90, 16 bytes long.
Data: < ê¬þö > 80 EA AC FE F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019C8578DDE0, 16 bytes long.
Data: <@é¬þö > 40 E9 AC FE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019C8578D0C0, 16 bytes long.
Data: <øW©þö > F8 57 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019C8578D160, 16 bytes long.
Data: <ØW©þö > D8 57 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019C8578DCF0, 16 bytes long.
Data: <P ©þö > 50 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019C8578D660, 16 bytes long.
Data: <0 ©þö > 30 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019C8578D2F0, 16 bytes long.
Data: <à ©þö > E0 02 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019C8578D7A0, 16 bytes long.
Data: < ©þö > 10 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019C8578D700, 16 bytes long.
Data: <p ©þö > 70 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019C8578DC00, 16 bytes long.
Data: < À§þö > 18 C0 A7 FE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra