Task 38582322
| Name | HIF2A_A08_A36_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND7033_0 |
| Workunit | 31546648 |
| Created | 13 Dec 2025, 1:48:08 UTC |
| Sent | 13 Dec 2025, 1:48:18 UTC |
| Report deadline | 18 Dec 2025, 1:48:18 UTC |
| Received | 13 Dec 2025, 4:00:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631621 |
| Run time | 2 hours 8 min 41 sec |
| CPU time | 2 hours 8 min 41 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 35,920.71 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 479.18 MB |
| Peak swap size | 11.08 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:52:29 (24640): wrapper (7.9.26016): starting
19:52:29 (24640): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A36_0.pdb
QB_A08_A36_0.xml
QB_A08_A36_equil.pdb
QB_A08_A36.inpcrd
QB_A08_A36_input.yaml
QB_A08_A36_mdlambda.pdb
QB_A08_A36_min.pdb
QB_A08_A36_npt.pdb
QB_A08_A36.pdb
QB_A08_A36.prmtop
QB_A08_A36_sys.xml
QB_A08_A36_therm.pdb
run.bat
run.sh
19:52:30 (24640): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:52:30 (24640): 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.
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
21:59:53 (24640): C:/Windows/system32/cmd.exe exited; CPU time 7721.609375
21:59:53 (24640): 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: 141005509 bytes.
Dumping objects ->
{3835205} normal block at 0x000001FCEB65A630, 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 0x000001FCEB65A6A0, 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 0x000001FCEB659C20, 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 0x000001FCEB659D70, 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 0x000001FCE9A15BB0, 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 0x000001FCEB667D90, 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 0x000001FCE9A0EAB0, 8 bytes long.
Data: < —éü > 00 00 97 E9 FC 01 00 00
{3833959} normal block at 0x000001FCE9A0E290, 8 bytes long.
Data: <@é®éü > 40 E9 AE E9 FC 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FCE9A00C60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FCE9A019B0, 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 0x000001FCE9A16FB0, 16 bytes long.
Data: <Èu¡éü > C8 75 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FCE9A16BA0, 16 bytes long.
Data: < u¡éü > A0 75 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FCE9A11AF0, 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 0x000001FCE9A169C0, 16 bytes long.
Data: <xu¡éü > 78 75 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FCE9A16380, 16 bytes long.
Data: <Pu¡éü > 50 75 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FCE9A16B50, 16 bytes long.
Data: <(u¡éü > 28 75 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FCE9A16970, 16 bytes long.
Data: < u¡éü > 00 75 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FCE9A16010, 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 0x000001FCE9A16330, 16 bytes long.
Data: <Ø ¡éü > D8 15 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FCE9A11EB0, 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 0x000001FCE9A170F0, 16 bytes long.
Data: <° ¡éü > B0 15 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FCE9A16920, 16 bytes long.
Data: < ¡éü > 88 15 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FCE9A16BF0, 16 bytes long.
Data: <` ¡éü > 60 15 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FCE9A16EC0, 16 bytes long.
Data: <8 ¡éü > 38 15 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FCE9A16880, 16 bytes long.
Data: < ¡éü > 10 15 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FCE9A16E70, 16 bytes long.
Data: <è ¡éü > E8 14 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FCE9A11910, 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 0x000001FCE9A165B0, 16 bytes long.
Data: <À ¡éü > C0 14 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FCE9A114C0, 320 bytes long.
Data: <°e¡éü ¡éü > B0 65 A1 E9 FC 01 00 00 10 19 A1 E9 FC 01 00 00
{275} normal block at 0x000001FCE9A16E20, 16 bytes long.
Data: <àt¡éü > E0 74 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FCE9A166A0, 16 bytes long.
Data: <¸t¡éü > B8 74 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FCE9A124B0, 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 0x000001FCE9A16830, 16 bytes long.
Data: < t¡éü > 90 74 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FCE9A12450, 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 0x000001FCE9A167E0, 16 bytes long.
Data: <Øs¡éü > D8 73 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FCE9A16650, 16 bytes long.
Data: <°s¡éü > B0 73 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FCE9A16790, 16 bytes long.
Data: < s¡éü > 88 73 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FCE9A16F10, 16 bytes long.
Data: <`s¡éü > 60 73 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FCE9A164C0, 16 bytes long.
Data: <8s¡éü > 38 73 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FCE9A16CE0, 16 bytes long.
Data: < s¡éü > 10 73 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FCE9A170A0, 16 bytes long.
Data: < \¡éü > 90 5C A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FCE9A15C90, 40 bytes long.
Data: < p¡éü }fëü > A0 70 A1 E9 FC 01 00 00 90 7D 66 EB FC 01 00 00
{261} normal block at 0x000001FCE9A16740, 16 bytes long.
Data: <ðr¡éü > F0 72 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FCE9A16C90, 16 bytes long.
Data: <Èr¡éü > C8 72 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FCE9A125D0, 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 0x000001FCE9A168D0, 16 bytes long.
Data: < r¡éü > A0 72 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FCE9A172A0, 992 bytes long.
Data: <Ðh¡éü Ð%¡éü > D0 68 A1 E9 FC 01 00 00 D0 25 A1 E9 FC 01 00 00
{93} normal block at 0x000001FCE9A12630, 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 0x000001FCE9A0E7E0, 16 bytes long.
Data: <`a¡éü > 60 61 A1 E9 FC 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001FCE9A16160, 40 bytes long.
Data: <àç éü 0&¡éü > E0 E7 A0 E9 FC 01 00 00 30 26 A1 E9 FC 01 00 00
{70} normal block at 0x000001FCE9A0E380, 16 bytes long.
Data: < ê °÷ > 80 EA 1B B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FCE9A0EA60, 16 bytes long.
Data: <@é °÷ > 40 E9 1B B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FCE9A0E6F0, 16 bytes long.
Data: <øW °÷ > F8 57 18 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FCE9A0EB50, 16 bytes long.
Data: <ØW °÷ > D8 57 18 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FCE9A0DF20, 16 bytes long.
Data: <P °÷ > 50 04 18 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FCE9A0DED0, 16 bytes long.
Data: <0 °÷ > 30 04 18 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FCE9A0E510, 16 bytes long.
Data: <à °÷ > E0 02 18 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FCE9A0E240, 16 bytes long.
Data: < °÷ > 10 04 18 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FCE9A0DE80, 16 bytes long.
Data: <p °÷ > 70 04 18 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FCE9A0DF70, 16 bytes long.
Data: < À °÷ > 18 C0 16 B0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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