Task 38581570
| Name | HIF2A_A41_A19_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND7946_0 |
| Workunit | 31546089 |
| Created | 12 Dec 2025, 10:52:39 UTC |
| Sent | 12 Dec 2025, 10:53:26 UTC |
| Report deadline | 17 Dec 2025, 10:53:26 UTC |
| Received | 12 Dec 2025, 22:01:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629402 |
| Run time | 2 hours 44 min 24 sec |
| CPU time | 1 hours 54 min 7 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,624.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 495.81 MB |
| Peak swap size | 12.57 GB |
| Peak disk usage | 2.93 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:17:00 (50084): wrapper (7.9.26016): starting
13:17:00 (50084): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A19_0.pdb
QB_A41_A19_0.xml
QB_A41_A19_equil.pdb
QB_A41_A19.inpcrd
QB_A41_A19_input.yaml
QB_A41_A19_mdlambda.pdb
QB_A41_A19_min.pdb
QB_A41_A19_npt.pdb
QB_A41_A19.pdb
QB_A41_A19.prmtop
QB_A41_A19_sys.xml
QB_A41_A19_therm.pdb
run.bat
run.sh
13:17:01 (50084): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:17:01 (50084): 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\6\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\6\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
16:00:40 (50084): C:/Windows/system32/cmd.exe exited; CPU time 6847.656250
16:00:40 (50084): 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: 179463563 bytes.
Dumping objects ->
{3835309} normal block at 0x000001FCB5B6C9A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000001FCB5B6C460, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000001FCB5B6C3F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x000001FCB3DC45F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001FCB3DC4200, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x000001FCB5BB9530, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001FCB5BCE230, 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) : {3835220} normal block at 0x000001FCB3DBD3D0, 8 bytes long.
Data: < 3´ü > 00 00 33 B4 FC 01 00 00
{3834573} normal block at 0x000001FCB5BCE4F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001FCB3DBCE30, 8 bytes long.
Data: <pØÚ³ü > 70 D8 DA B3 FC 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FCB3DB1CF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FCB3DAFD90, 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 0x000001FCB3DC5170, 16 bytes long.
Data: <Xaܳü > 58 61 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FCB3DC57B0, 16 bytes long.
Data: <0aܳü > 30 61 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FCB3DC0FB0, 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 0x000001FCB3DC5350, 16 bytes long.
Data: < aܳü > 08 61 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FCB3DC5620, 16 bytes long.
Data: <à`ܳü > E0 60 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FCB3DC5530, 16 bytes long.
Data: <¸`ܳü > B8 60 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FCB3DC5B70, 16 bytes long.
Data: < `ܳü > 90 60 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FCB3DC43C0, 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 0x000001FCB3DC4EA0, 16 bytes long.
Data: <(¶Ú³ü > 28 B6 DA B3 FC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FCB3DC0590, 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 0x000001FCB3DC4D60, 16 bytes long.
Data: < ¶Ú³ü > 00 B6 DA B3 FC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FCB3DC50D0, 16 bytes long.
Data: <صڳü > D8 B5 DA B3 FC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FCB3DC4E00, 16 bytes long.
Data: <°µÚ³ü > B0 B5 DA B3 FC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FCB3DC52B0, 16 bytes long.
Data: < µÚ³ü > 88 B5 DA B3 FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FCB3DC4CC0, 16 bytes long.
Data: <`µÚ³ü > 60 B5 DA B3 FC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FCB3DC5210, 16 bytes long.
Data: <8µÚ³ü > 38 B5 DA B3 FC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FCB3DC0AD0, 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 0x000001FCB3DC5300, 16 bytes long.
Data: < µÚ³ü > 10 B5 DA B3 FC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FCB3DAB510, 320 bytes long.
Data: < Sܳü Рܳü > 00 53 DC B3 FC 01 00 00 D0 0A DC B3 FC 01 00 00
{275} normal block at 0x000001FCB3DC5BC0, 16 bytes long.
Data: <p`ܳü > 70 60 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FCB3DC5B20, 16 bytes long.
Data: <H`ܳü > 48 60 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FCB3DC06B0, 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 0x000001FCB3DC4E50, 16 bytes long.
Data: < `ܳü > 20 60 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FCB3DC0E30, 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 0x000001FCB3DC4F40, 16 bytes long.
Data: <h_ܳü > 68 5F DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FCB3DC5490, 16 bytes long.
Data: <@_ܳü > 40 5F DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FCB3DC55D0, 16 bytes long.
Data: < _ܳü > 18 5F DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FCB3DC4D10, 16 bytes long.
Data: <ð^ܳü > F0 5E DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FCB3DC5AD0, 16 bytes long.
Data: <È^ܳü > C8 5E DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FCB3DC4DB0, 16 bytes long.
Data: < ^ܳü > A0 5E DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FCB3DC58A0, 16 bytes long.
Data: <ÐFܳü > D0 46 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FCB3DC46D0, 40 bytes long.
Data: < Xܳü 0•»µü > A0 58 DC B3 FC 01 00 00 30 95 BB B5 FC 01 00 00
{261} normal block at 0x000001FCB3DC4EF0, 16 bytes long.
Data: < ^ܳü > 80 5E DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FCB3DC5580, 16 bytes long.
Data: <X^ܳü > 58 5E DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FCB3DC07D0, 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 0x000001FCB3DC5850, 16 bytes long.
Data: <0^ܳü > 30 5E DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FCB3DC5E30, 992 bytes long.
Data: <PXܳü Рܳü > 50 58 DC B3 FC 01 00 00 D0 07 DC B3 FC 01 00 00
{93} normal block at 0x000001FCB3DC0D10, 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 0x000001FCB3DBCE80, 16 bytes long.
Data: < Dܳü > A0 44 DC B3 FC 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001FCB3DC44A0, 40 bytes long.
Data: < ÎÛ³ü ܳü > 80 CE DB B3 FC 01 00 00 10 0D DC B3 FC 01 00 00
{70} normal block at 0x000001FCB3DBCDE0, 16 bytes long.
Data: < ê Q÷ > 80 EA 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FCB3DBD830, 16 bytes long.
Data: <@é Q÷ > 40 E9 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FCB3DBD790, 16 bytes long.
Data: <øW Q÷ > F8 57 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FCB3DBDAB0, 16 bytes long.
Data: <ØW Q÷ > D8 57 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FCB3DBD0B0, 16 bytes long.
Data: <P Q÷ > 50 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FCB3DBD970, 16 bytes long.
Data: <0 Q÷ > 30 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FCB3DBCD90, 16 bytes long.
Data: <à Q÷ > E0 02 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FCB3DBDA60, 16 bytes long.
Data: < Q÷ > 10 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FCB3DBD1A0, 16 bytes long.
Data: <p Q÷ > 70 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FCB3DBCED0, 16 bytes long.
Data: < À Q÷ > 18 C0 1A 51 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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