Task 38583034
| Name | HIF2A_A14_A09_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND4038_0 |
| Workunit | 31547240 |
| Created | 13 Dec 2025, 17:50:50 UTC |
| Sent | 13 Dec 2025, 17:50:56 UTC |
| Report deadline | 18 Dec 2025, 17:50:56 UTC |
| Received | 14 Dec 2025, 0:05:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638061 |
| Run time | 3 hours 56 min 32 sec |
| CPU time | 3 hours 39 min 12 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,399.00 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 487.84 MB |
| Peak swap size | 12.51 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:06:11 (6380): wrapper (7.9.26016): starting
14:06:11 (6380): 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
14:06:12 (6380): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:06:12 (6380): 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\30\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\30\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
18:01:35 (6380): C:/Windows/system32/cmd.exe exited; CPU time 13152.125000
18:01:35 (6380): 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: 228071405 bytes.
Dumping objects ->
{3835231} normal block at 0x0000025BF0C3C7E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x0000025BF0C170E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x0000025BF0C17000, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835198} normal block at 0x0000025BF0C16F20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x0000025BF0C16D60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835156} normal block at 0x0000025BF291A580, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835145} normal block at 0x0000025BF2930530, 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) : {3835142} normal block at 0x0000025BF0C0F120, 8 bytes long.
Data: < ·ð[ > 00 00 B7 F0 5B 02 00 00
{3834540} normal block at 0x0000025BF2930480, 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 0x0000025BF0C0F7B0, 8 bytes long.
Data: <pÕ¿ð[ > 70 D5 BF F0 5B 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025BF0C00960, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025BF0C02080, 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 0x0000025BF0C17C50, 16 bytes long.
Data: <(†Áð[ > 28 86 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025BF0C17930, 16 bytes long.
Data: < †Áð[ > 00 86 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025BF0C134B0, 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 0x0000025BF0C17BB0, 16 bytes long.
Data: <Ø…Áð[ > D8 85 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025BF0C17480, 16 bytes long.
Data: <°…Áð[ > B0 85 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025BF0C17610, 16 bytes long.
Data: < …Áð[ > 88 85 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025BF0C17CF0, 16 bytes long.
Data: <`…Áð[ > 60 85 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025BF0C16C10, 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 0x0000025BF0C176B0, 16 bytes long.
Data: <¨ Àð[ > A8 05 C0 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025BF0C13090, 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 0x0000025BF0C17430, 16 bytes long.
Data: < Àð[ > 80 05 C0 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025BF0C17AC0, 16 bytes long.
Data: <X Àð[ > 58 05 C0 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025BF0C173E0, 16 bytes long.
Data: <0 Àð[ > 30 05 C0 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025BF0C178E0, 16 bytes long.
Data: < Àð[ > 08 05 C0 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025BF0C17660, 16 bytes long.
Data: <à Àð[ > E0 04 C0 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025BF0C18290, 16 bytes long.
Data: <¸ Àð[ > B8 04 C0 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025BF0C12F70, 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 0x0000025BF0C18100, 16 bytes long.
Data: < Àð[ > 90 04 C0 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025BF0C00490, 320 bytes long.
Data: < Áð[ p/Áð[ > 00 81 C1 F0 5B 02 00 00 70 2F C1 F0 5B 02 00 00
{275} normal block at 0x0000025BF0C181F0, 16 bytes long.
Data: <@…Áð[ > 40 85 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025BF0C17D40, 16 bytes long.
Data: < …Áð[ > 18 85 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025BF0C12970, 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 0x0000025BF0C17890, 16 bytes long.
Data: <ð„Áð[ > F0 84 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025BF0C12910, 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 0x0000025BF0C177A0, 16 bytes long.
Data: <8„Áð[ > 38 84 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025BF0C18010, 16 bytes long.
Data: < „Áð[ > 10 84 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025BF0C18240, 16 bytes long.
Data: <èƒÁð[ > E8 83 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025BF0C17340, 16 bytes long.
Data: <ÀƒÁð[ > C0 83 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025BF0C17B10, 16 bytes long.
Data: < ƒÁð[ > 98 83 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025BF0C17E80, 16 bytes long.
Data: <pƒÁð[ > 70 83 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025BF0C180B0, 16 bytes long.
Data: <ÀqÁð[ > C0 71 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025BF0C171C0, 40 bytes long.
Data: <° Áð[ ¥‘ò[ > B0 80 C1 F0 5B 02 00 00 80 A5 91 F2 5B 02 00 00
{261} normal block at 0x0000025BF0C17F20, 16 bytes long.
Data: <PƒÁð[ > 50 83 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025BF0C17B60, 16 bytes long.
Data: <(ƒÁð[ > 28 83 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025BF0C13210, 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 0x0000025BF0C17A70, 16 bytes long.
Data: < ƒÁð[ > 00 83 C1 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000025BF0C18300, 992 bytes long.
Data: <pzÁð[ 2Áð[ > 70 7A C1 F0 5B 02 00 00 10 32 C1 F0 5B 02 00 00
{93} normal block at 0x0000025BF0C12AF0, 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 0x0000025BF0C0FDA0, 16 bytes long.
Data: <Ðпð[ > D0 D0 BF F0 5B 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000025BF0BFD0D0, 40 bytes long.
Data: < ýÀð[ ð*Áð[ > A0 FD C0 F0 5B 02 00 00 F0 2A C1 F0 5B 02 00 00
{70} normal block at 0x0000025BF0C0F530, 16 bytes long.
Data: < ê³rö > 80 EA B3 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025BF0C0F260, 16 bytes long.
Data: <@é³rö > 40 E9 B3 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025BF0C0FBC0, 16 bytes long.
Data: <øW°rö > F8 57 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025BF0C0F6C0, 16 bytes long.
Data: <ØW°rö > D8 57 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025BF0C0EF90, 16 bytes long.
Data: <P °rö > 50 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025BF0C0F490, 16 bytes long.
Data: <0 °rö > 30 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025BF0C0F620, 16 bytes long.
Data: <à °rö > E0 02 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025BF0C0F670, 16 bytes long.
Data: < °rö > 10 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025BF0C0FE40, 16 bytes long.
Data: <p °rö > 70 04 B0 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025BF0C0F4E0, 16 bytes long.
Data: < À®rö > 18 C0 AE 72 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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