Task 38583235
| Name | HIF2A_A14_A09_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-4-5-RND9299_0 |
| Workunit | 31547399 |
| Created | 13 Dec 2025, 23:11:21 UTC |
| Sent | 13 Dec 2025, 23:11:21 UTC |
| Report deadline | 18 Dec 2025, 23:11:21 UTC |
| Received | 14 Dec 2025, 3:18:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 445441 |
| Run time | 4 hours 5 min 33 sec |
| CPU time | 4 hours 3 min 59 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 13,453.76 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 474.71 MB |
| Peak swap size | 12.52 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:14:25 (14100): wrapper (7.9.26016): starting
00:14:25 (14100): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A09_0.pdb
QB_A14_A09_0.xml
QB_A14_A09_equil.pdb
QB_A14_A09.inpcrd
QB_A14_A09_input.yaml
QB_A14_A09_mdlambda.pdb
QB_A14_A09_min.pdb
QB_A14_A09_npt.pdb
QB_A14_A09.pdb
QB_A14_A09.prmtop
QB_A14_A09_sys.xml
QB_A14_A09_therm.pdb
run.bat
run.sh
00:14:27 (14100): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:14:27 (14100): 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\4\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\4\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
04:18:07 (14100): C:/Windows/system32/cmd.exe exited; CPU time 14639.718750
04:18:07 (14100): called boinc_finish(0)
0 bytes in 0 Free Blocks.
428 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: 257954770 bytes.
Dumping objects ->
{3835227} normal block at 0x00000240A9921020, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835216} normal block at 0x00000240A9920AE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835205} normal block at 0x00000240A9921560, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835194} normal block at 0x00000240A9920920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x00000240A9920CA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835152} normal block at 0x00000240A9A141F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835141} normal block at 0x00000240A9A2C570, 86 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) : {3835138} normal block at 0x00000240A7DC86B0, 8 bytes long.
Data: < ©@ > 00 00 81 A9 40 02 00 00
{3834535} normal block at 0x00000240A9A2CC50, 86 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x00000240A7DC89D0, 8 bytes long.
Data: <`>§©@ > 60 3E A7 A9 40 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000240A7DD2F70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000240A7DBB360, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000240A7DD4640, 16 bytes long.
Data: <¨Qݧ@ > A8 51 DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000240A7DD4A50, 16 bytes long.
Data: < Qݧ@ > 80 51 DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000240A7DCF620, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000240A7DD4D70, 16 bytes long.
Data: <XQݧ@ > 58 51 DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000240A7DD4C30, 16 bytes long.
Data: <0Qݧ@ > 30 51 DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000240A7DD4A00, 16 bytes long.
Data: < Qݧ@ > 08 51 DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000240A7DD4BE0, 16 bytes long.
Data: <àPݧ@ > E0 50 DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000240A7DCD020, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000240A7DD4780, 16 bytes long.
Data: <8ÂÛ§@ > 38 C2 DB A7 40 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000240A7DCF8C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000240A7DD4B40, 16 bytes long.
Data: < ÂÛ§@ > 10 C2 DB A7 40 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000240A7DD4960, 16 bytes long.
Data: <èÁÛ§@ > E8 C1 DB A7 40 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000240A7DD4910, 16 bytes long.
Data: <ÀÁÛ§@ > C0 C1 DB A7 40 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000240A7DD4DC0, 16 bytes long.
Data: < ÁÛ§@ > 98 C1 DB A7 40 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000240A7DD4230, 16 bytes long.
Data: <pÁÛ§@ > 70 C1 DB A7 40 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000240A7DD4870, 16 bytes long.
Data: <HÁÛ§@ > 48 C1 DB A7 40 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000240A7DCF560, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000240A7DD40A0, 16 bytes long.
Data: < ÁÛ§@ > 20 C1 DB A7 40 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000240A7DBC120, 320 bytes long.
Data: < @ݧ@ `õܧ@ > A0 40 DD A7 40 02 00 00 60 F5 DC A7 40 02 00 00
{273} normal block at 0x00000240A7DD4050, 16 bytes long.
Data: <ÀPݧ@ > C0 50 DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000240A7DD4D20, 16 bytes long.
Data: < Pݧ@ > 98 50 DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000240A7DCF020, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000240A7DD4550, 16 bytes long.
Data: <pPݧ@ > 70 50 DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000240A7DCF680, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000240A7DD4B90, 16 bytes long.
Data: <¸Oݧ@ > B8 4F DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000240A7DD46E0, 16 bytes long.
Data: < Oݧ@ > 90 4F DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000240A7DD49B0, 16 bytes long.
Data: <hOݧ@ > 68 4F DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000240A7DD48C0, 16 bytes long.
Data: <@Oݧ@ > 40 4F DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000240A7DD3FB0, 16 bytes long.
Data: < Oݧ@ > 18 4F DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000240A7DD4000, 16 bytes long.
Data: <ðNݧ@ > F0 4E DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000240A7DD4820, 16 bytes long.
Data: <°Ïܧ@ > B0 CF DC A7 40 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000240A7DCCFB0, 40 bytes long.
Data: < Hݧ@ ðA¡©@ > 20 48 DD A7 40 02 00 00 F0 41 A1 A9 40 02 00 00
{259} normal block at 0x00000240A7DD4500, 16 bytes long.
Data: <ÐNݧ@ > D0 4E DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000240A7DD4CD0, 16 bytes long.
Data: <¨Nݧ@ > A8 4E DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000240A7DCF7A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000240A7DD4730, 16 bytes long.
Data: < Nݧ@ > 80 4E DD A7 40 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000240A7DD4E80, 992 bytes long.
Data: <0Gݧ@  ÷ܧ@ > 30 47 DD A7 40 02 00 00 A0 F7 DC A7 40 02 00 00
{91} normal block at 0x00000240A7DCF0E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000240A7DC85C0, 16 bytes long.
Data: < Ìܧ@ > A0 CC DC A7 40 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000240A7DCCCA0, 40 bytes long.
Data: <À…ܧ@ àðܧ@ > C0 85 DC A7 40 02 00 00 E0 F0 DC A7 40 02 00 00
{68} normal block at 0x00000240A7DC7EE0, 16 bytes long.
Data: < ê3mö > 80 EA 33 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000240A7DC7E90, 16 bytes long.
Data: <@é3mö > 40 E9 33 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000240A7DC87A0, 16 bytes long.
Data: <øW0mö > F8 57 30 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000240A7DC7DA0, 16 bytes long.
Data: <ØW0mö > D8 57 30 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000240A7DC84D0, 16 bytes long.
Data: <P 0mö > 50 04 30 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000240A7DC8200, 16 bytes long.
Data: <0 0mö > 30 04 30 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000240A7DC7D00, 16 bytes long.
Data: <à 0mö > E0 02 30 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000240A7DC8610, 16 bytes long.
Data: < 0mö > 10 04 30 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000240A7DC8890, 16 bytes long.
Data: <p 0mö > 70 04 30 6D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000240A7DC7CB0, 16 bytes long.
Data: < À.mö > 18 C0 2E 6D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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