Task 38582422
| Name | HIF2A_A29_A22_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND7915_0 |
| Workunit | 31546738 |
| Created | 13 Dec 2025, 4:18:14 UTC |
| Sent | 13 Dec 2025, 4:18:19 UTC |
| Report deadline | 18 Dec 2025, 4:18:19 UTC |
| Received | 14 Dec 2025, 9:37:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623084 |
| Run time | 5 hours 40 min 3 sec |
| CPU time | 5 hours 40 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 2,507.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 523.00 MB |
| Peak swap size | 12.47 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:58:13 (24548): wrapper (7.9.26016): starting
12:58:13 (24548): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A22_0.pdb
QB_A29_A22_0.xml
QB_A29_A22_equil.pdb
QB_A29_A22.inpcrd
QB_A29_A22_input.yaml
QB_A29_A22_mdlambda.pdb
QB_A29_A22_min.pdb
QB_A29_A22_npt.pdb
QB_A29_A22.pdb
QB_A29_A22.prmtop
QB_A29_A22_sys.xml
QB_A29_A22_therm.pdb
run.bat
run.sh
12:58:14 (24548): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:58:14 (24548): 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\34\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\34\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
18:36:43 (24548): C:/Windows/system32/cmd.exe exited; CPU time 20403.390625
18:36:43 (24548): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 363524357 bytes.
Dumping objects ->
{3835584} normal block at 0x00000230B11DBCA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835573} normal block at 0x00000230B11DBDF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835562} normal block at 0x00000230B11DC020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835551} normal block at 0x00000230B11DBA00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835540} normal block at 0x00000230B11DBF40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835509} normal block at 0x00000230B31C87B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835498} normal block at 0x00000230B31E02F0, 104 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) : {3835495} normal block at 0x00000230B11AE1D0, 8 bytes long.
Data: < ±0 > 00 00 14 B1 30 02 00 00
{3834781} normal block at 0x00000230B31E0710, 104 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834089} normal block at 0x00000230B11AE2C0, 8 bytes long.
Data: <P¼ ³0 > 50 BC 1D B3 30 02 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000230B11A1EE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000230B119E720, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x00000230B11B7EC0, 16 bytes long.
Data: <x ±0 > 78 8F 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000230B11B7C90, 16 bytes long.
Data: <P ±0 > 50 8F 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000230B11AFC20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x00000230B11B8BE0, 16 bytes long.
Data: <( ±0 > 28 8F 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000230B11B7E70, 16 bytes long.
Data: < ±0 > 00 8F 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000230B11B8B90, 16 bytes long.
Data: <Ø ±0 > D8 8E 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000230B11B7E20, 16 bytes long.
Data: <° ±0 > B0 8E 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000230B11B54A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x00000230B11B83C0, 16 bytes long.
Data: < º ±0 > E8 BA 19 B1 30 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000230B11B05E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x00000230B11B8870, 16 bytes long.
Data: <Àº ±0 > C0 BA 19 B1 30 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000230B11B8000, 16 bytes long.
Data: < º ±0 > 98 BA 19 B1 30 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000230B11B7CE0, 16 bytes long.
Data: <pº ±0 > 70 BA 19 B1 30 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000230B11B7DD0, 16 bytes long.
Data: <Hº ±0 > 48 BA 19 B1 30 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000230B11B8370, 16 bytes long.
Data: < º ±0 > 20 BA 19 B1 30 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000230B11B7D30, 16 bytes long.
Data: < ¹ ±0 > F8 B9 19 B1 30 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000230B11AFB00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x00000230B11B80A0, 16 bytes long.
Data: <й ±0 > D0 B9 19 B1 30 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000230B119B9D0, 320 bytes long.
Data: < ±0 ±0 > A0 80 1B B1 30 02 00 00 00 FB 1A B1 30 02 00 00
{284} normal block at 0x00000230B11B8140, 16 bytes long.
Data: < ±0 > 90 8E 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000230B11B8B40, 16 bytes long.
Data: <h ±0 > 68 8E 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000230B11B01C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x00000230B11B8640, 16 bytes long.
Data: <@ ±0 > 40 8E 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000230B11AF860, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x00000230B11B8320, 16 bytes long.
Data: < ±0 > 88 8D 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000230B11B8AF0, 16 bytes long.
Data: <` ±0 > 60 8D 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000230B11B82D0, 16 bytes long.
Data: <8 ±0 > 38 8D 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000230B11B7FB0, 16 bytes long.
Data: < ±0 > 10 8D 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000230B11B8690, 16 bytes long.
Data: < ±0 > E8 8C 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000230B11B81E0, 16 bytes long.
Data: <À ±0 > C0 8C 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000230B11B8A00, 16 bytes long.
Data: <0T ±0 > 30 54 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000230B11B5430, 40 bytes long.
Data: < ±0 ° ³0 > 00 8A 1B B1 30 02 00 00 B0 87 1C B3 30 02 00 00
{270} normal block at 0x00000230B11B7D80, 16 bytes long.
Data: < ±0 > A0 8C 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000230B11B8820, 16 bytes long.
Data: <x ±0 > 78 8C 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000230B11AFFE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x00000230B11B7F60, 16 bytes long.
Data: <P ±0 > 50 8C 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000230B11B8C50, 992 bytes long.
Data: <` ±0 ±0 > 60 7F 1B B1 30 02 00 00 E0 FF 1A B1 30 02 00 00
{102} normal block at 0x00000230B11AFEC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x00000230B11AD5A0, 16 bytes long.
Data: <°W ±0 > B0 57 1B B1 30 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x00000230B11B57B0, 40 bytes long.
Data: < Õ ±0 À ±0 > A0 D5 1A B1 30 02 00 00 C0 FE 1A B1 30 02 00 00
{77} normal block at 0x00000230B11ADD20, 16 bytes long.
Data: < (Ó > 80 EA 28 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000230B11ADF00, 16 bytes long.
Data: <@ (Ó > 40 E9 28 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000230B11ADAF0, 16 bytes long.
Data: < W%Ó > F8 57 25 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000230B11AE180, 16 bytes long.
Data: <ØW%Ó > D8 57 25 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000230B11ADEB0, 16 bytes long.
Data: <P %Ó > 50 04 25 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000230B11ADFF0, 16 bytes long.
Data: <0 %Ó > 30 04 25 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000230B11AD5F0, 16 bytes long.
Data: < %Ó > E0 02 25 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000230B11AD690, 16 bytes long.
Data: < %Ó > 10 04 25 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000230B11AE090, 16 bytes long.
Data: <p %Ó > 70 04 25 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000230B11AE400, 16 bytes long.
Data: < À#Ó > 18 C0 23 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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