Task 38581937
| Name | HIF2A_A24_A11_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND1271_0 |
| Workunit | 31546325 |
| Created | 12 Dec 2025, 17:36:44 UTC |
| Sent | 12 Dec 2025, 17:36:48 UTC |
| Report deadline | 17 Dec 2025, 17:36:48 UTC |
| Received | 12 Dec 2025, 20:54:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593616 |
| Run time | 3 hours 7 min 26 sec |
| CPU time | 2 hours 55 min 50 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,505.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 467.60 MB |
| Peak swap size | 6.54 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:39:37 (20612): wrapper (7.9.26016): starting
02:39:37 (20612): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A11_0.pdb
QB_A24_A11_0.xml
QB_A24_A11_equil.pdb
QB_A24_A11.inpcrd
QB_A24_A11_input.yaml
QB_A24_A11_mdlambda.pdb
QB_A24_A11_min.pdb
QB_A24_A11_npt.pdb
QB_A24_A11.pdb
QB_A24_A11.prmtop
QB_A24_A11_sys.xml
QB_A24_A11_therm.pdb
run.bat
run.sh
02:39:39 (20612): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:39:39 (20612): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
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WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\15\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 'D:\ProgramData\BOINC\slots\15\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
05:53:38 (20612): C:/Windows/system32/cmd.exe exited; CPU time 10550.468750
05:53:38 (20612): 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: 208634687 bytes.
Dumping objects ->
{3835309} normal block at 0x000002507A7C0FB0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000002507A7C0D80, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000002507A7C0C30, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x000002507A7C1560, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000002507A7C14F0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x000002507AC559B0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835221} normal block at 0x0000025078CAE250, 8 bytes long.
Data: < yP > 00 00 20 79 50 02 00 00
{3834057} normal block at 0x0000025078CADE90, 8 bytes long.
Data: <PÛÉxP > 50 DB C9 78 50 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025078CA1720, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025078CA22D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000025078CB6650, 16 bytes long.
Data: <hqËxP > 68 71 CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025078CB6C90, 16 bytes long.
Data: <@qËxP > 40 71 CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025078CB0430, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000025078CB6AB0, 16 bytes long.
Data: < qËxP > 18 71 CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025078CB6D80, 16 bytes long.
Data: < pËxP > F0 70 CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025078CB6790, 16 bytes long.
Data: <ÈpËxP > C8 70 CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025078CB65B0, 16 bytes long.
Data: < pËxP > A0 70 CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025078CB2060, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000025078CB6970, 16 bytes long.
Data: < ¹ÉxP > 08 B9 C9 78 50 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025078CAF9B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000025078CB6920, 16 bytes long.
Data: < ¸ÉxP > E0 B8 C9 78 50 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025078CB68D0, 16 bytes long.
Data: <¸¸ÉxP > B8 B8 C9 78 50 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025078CB6C40, 16 bytes long.
Data: < ¸ÉxP > 90 B8 C9 78 50 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025078CB61F0, 16 bytes long.
Data: <h¸ÉxP > 68 B8 C9 78 50 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025078CB6100, 16 bytes long.
Data: <@¸ÉxP > 40 B8 C9 78 50 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025078CB6740, 16 bytes long.
Data: < ¸ÉxP > 18 B8 C9 78 50 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025078CB0310, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000025078CB6D30, 16 bytes long.
Data: < ·ÉxP > F0 B7 C9 78 50 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025078C9B7F0, 320 bytes long.
Data: <0mËxP ËxP > 30 6D CB 78 50 02 00 00 10 03 CB 78 50 02 00 00
{276} normal block at 0x0000025078CB6BF0, 16 bytes long.
Data: < pËxP > 80 70 CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025078CB6380, 16 bytes long.
Data: <XpËxP > 58 70 CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025078CAFCB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000025078CB6010, 16 bytes long.
Data: <0pËxP > 30 70 CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025078CB0490, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000025078CB6560, 16 bytes long.
Data: <xoËxP > 78 6F CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025078CB6600, 16 bytes long.
Data: <PoËxP > 50 6F CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025078CB6060, 16 bytes long.
Data: <(oËxP > 28 6F CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025078CB6B50, 16 bytes long.
Data: < oËxP > 00 6F CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025078CB63D0, 16 bytes long.
Data: <ØnËxP > D8 6E CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025078CB6830, 16 bytes long.
Data: <°nËxP > B0 6E CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025078CB5F70, 16 bytes long.
Data: < ËxP > F0 1F CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025078CB1FF0, 40 bytes long.
Data: <p_ËxP °YÅzP > 70 5F CB 78 50 02 00 00 B0 59 C5 7A 50 02 00 00
{262} normal block at 0x0000025078CB62E0, 16 bytes long.
Data: < nËxP > 90 6E CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025078CB6B00, 16 bytes long.
Data: <hnËxP > 68 6E CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025078CAFA10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000025078CB6510, 16 bytes long.
Data: <@nËxP > 40 6E CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025078CB6E40, 992 bytes long.
Data: < eËxP ÊxP > 10 65 CB 78 50 02 00 00 10 FA CA 78 50 02 00 00
{94} normal block at 0x0000025078CAFB90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000025078CADD50, 16 bytes long.
Data: <À ËxP > C0 1D CB 78 50 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000025078CB1DC0, 40 bytes long.
Data: <PÝÊxP ÊxP > 50 DD CA 78 50 02 00 00 90 FB CA 78 50 02 00 00
{69} normal block at 0x0000025078CAD710, 16 bytes long.
Data: < u > 80 EA 75 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025078CAD9E0, 16 bytes long.
Data: <@ u > 40 E9 75 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025078CAE160, 16 bytes long.
Data: < Wr > F8 57 72 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025078CAD760, 16 bytes long.
Data: <ØWr > D8 57 72 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025078CADC10, 16 bytes long.
Data: <P r > 50 04 72 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025078CAE570, 16 bytes long.
Data: <0 r > 30 04 72 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025078CAE480, 16 bytes long.
Data: < r > E0 02 72 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025078CADB70, 16 bytes long.
Data: < r > 10 04 72 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025078CADB20, 16 bytes long.
Data: <p r > 70 04 72 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025078CAE430, 16 bytes long.
Data: < Àp > 18 C0 70 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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