Task 38583475
| Name | PFKFB3_A18_A03_r0_2-QUICO_ATM_GAFF2_LOMAP_PFKFB3-4-5-RND0853_0 |
| Workunit | 31547603 |
| Created | 14 Dec 2025, 6:18:29 UTC |
| Sent | 14 Dec 2025, 6:18:32 UTC |
| Report deadline | 19 Dec 2025, 6:18:32 UTC |
| Received | 14 Dec 2025, 20:38:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609406 |
| Run time | 13 hours 58 min 12 sec |
| CPU time | 13 hours 58 min 12 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,075.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 792.24 MB |
| Peak swap size | 9.85 GB |
| Peak disk usage | 3.70 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:21:49 (12116): wrapper (7.9.26016): starting
23:21:49 (12116): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A03_0.pdb
QB_A18_A03_0.xml
QB_A18_A03_equil.pdb
QB_A18_A03.inpcrd
QB_A18_A03_input.yaml
QB_A18_A03_mdlambda.pdb
QB_A18_A03_min.pdb
QB_A18_A03_npt.pdb
QB_A18_A03.pdb
QB_A18_A03.prmtop
QB_A18_A03_sys.xml
QB_A18_A03_therm.pdb
run.bat
run.sh
23:21:59 (12116): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:21:59 (12116): 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\19\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\19\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
13:28:53 (12116): C:/Windows/system32/cmd.exe exited; CPU time 50292.140625
13:28:53 (12116): 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: 1068376427 bytes.
Dumping objects ->
{3835205} normal block at 0x000001C84668C260, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x000001C84668C960, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x000001C84668C8F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835172} normal block at 0x000001C84668C2D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835161} normal block at 0x000001C84668CEA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835130} normal block at 0x000001C84843EC50, 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) : {3835117} normal block at 0x000001C84665D790, 8 bytes long.
Data: < cFÈ > 00 00 63 46 C8 01 00 00
{3833959} normal block at 0x000001C84665DA60, 8 bytes long.
Data: <pìdFÈ > 70 EC 64 46 C8 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C846655850, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001C846654B60, 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 0x000001C8466692B0, 16 bytes long.
Data: <ØžfFÈ > D8 9E 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C846669120, 16 bytes long.
Data: <°žfFÈ > B0 9E 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C846664EA0, 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 0x000001C8466690D0, 16 bytes long.
Data: < žfFÈ > 88 9E 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C8466693F0, 16 bytes long.
Data: <`žfFÈ > 60 9E 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C846668A40, 16 bytes long.
Data: <8žfFÈ > 38 9E 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C846669080, 16 bytes long.
Data: < žfFÈ > 10 9E 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C846663330, 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 0x000001C846668D60, 16 bytes long.
Data: <xådFÈ > 78 E5 64 46 C8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C846665200, 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 0x000001C846668D10, 16 bytes long.
Data: <PådFÈ > 50 E5 64 46 C8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C8466694E0, 16 bytes long.
Data: <(ådFÈ > 28 E5 64 46 C8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C846669990, 16 bytes long.
Data: < ådFÈ > 00 E5 64 46 C8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C846669350, 16 bytes long.
Data: <ØädFÈ > D8 E4 64 46 C8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C8466698F0, 16 bytes long.
Data: <°ädFÈ > B0 E4 64 46 C8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C8466698A0, 16 bytes long.
Data: < ädFÈ > 88 E4 64 46 C8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C8466651A0, 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 0x000001C846669030, 16 bytes long.
Data: <`ädFÈ > 60 E4 64 46 C8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C84664E460, 320 bytes long.
Data: <0 fFÈ  QfFÈ > 30 90 66 46 C8 01 00 00 A0 51 66 46 C8 01 00 00
{275} normal block at 0x000001C846668CC0, 16 bytes long.
Data: <ð fFÈ > F0 9D 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C846669940, 16 bytes long.
Data: <È fFÈ > C8 9D 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C846665080, 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 0x000001C846668F40, 16 bytes long.
Data: <  fFÈ > A0 9D 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C846665020, 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 0x000001C846668EF0, 16 bytes long.
Data: <èœfFÈ > E8 9C 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C846669850, 16 bytes long.
Data: <ÀœfFÈ > C0 9C 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C846669800, 16 bytes long.
Data: < œfFÈ > 98 9C 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C846669210, 16 bytes long.
Data: <pœfFÈ > 70 9C 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C846669260, 16 bytes long.
Data: <HœfFÈ > 48 9C 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C846668EA0, 16 bytes long.
Data: < œfFÈ > 20 9C 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C846669300, 16 bytes long.
Data: <°6fFÈ > B0 36 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C8466636B0, 40 bytes long.
Data: < “fFÈ PìCHÈ > 00 93 66 46 C8 01 00 00 50 EC 43 48 C8 01 00 00
{261} normal block at 0x000001C846669760, 16 bytes long.
Data: < œfFÈ > 00 9C 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C8466697B0, 16 bytes long.
Data: <Ø›fFÈ > D8 9B 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C846664DE0, 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 0x000001C846669620, 16 bytes long.
Data: <°›fFÈ > B0 9B 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C846669BB0, 992 bytes long.
Data: < –fFÈ àMfFÈ > 20 96 66 46 C8 01 00 00 E0 4D 66 46 C8 01 00 00
{93} normal block at 0x000001C846665140, 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 0x000001C84665D2E0, 16 bytes long.
Data: < 8fFÈ > 00 38 66 46 C8 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001C846663800, 40 bytes long.
Data: <àÒeFÈ @QfFÈ > E0 D2 65 46 C8 01 00 00 40 51 66 46 C8 01 00 00
{70} normal block at 0x000001C84665D290, 16 bytes long.
Data: < ê„‘ö > 80 EA 84 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C84665D970, 16 bytes long.
Data: <@é„‘ö > 40 E9 84 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C84665E0A0, 16 bytes long.
Data: <øW ‘ö > F8 57 81 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C84665DB50, 16 bytes long.
Data: <ØW ‘ö > D8 57 81 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C84665E050, 16 bytes long.
Data: <P ‘ö > 50 04 81 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C84665DE70, 16 bytes long.
Data: <0 ‘ö > 30 04 81 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C84665D420, 16 bytes long.
Data: <à ‘ö > E0 02 81 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C84665D240, 16 bytes long.
Data: < ‘ö > 10 04 81 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C84665D6F0, 16 bytes long.
Data: <p ‘ö > 70 04 81 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C84665E000, 16 bytes long.
Data: < À ‘ö > 18 C0 7F 91 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra