Task 38584804
| Name | PFKFB3_A01_A03_r0_5-QUICO_ATM_GAFF2_LOMAP_PFKFB3-3-5-RND2306_0 |
| Workunit | 31548313 |
| Created | 18 Dec 2025, 1:37:38 UTC |
| Sent | 18 Dec 2025, 1:37:41 UTC |
| Report deadline | 23 Dec 2025, 1:37:41 UTC |
| Received | 19 Dec 2025, 15:44:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 621622 |
| Run time | 1 days 13 hours 18 min 41 sec |
| CPU time | 1 days 8 hours 41 min 55 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 2,991.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 777.62 MB |
| Peak swap size | 6.83 GB |
| Peak disk usage | 3.70 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:16:31 (8976): wrapper (7.9.26016): starting
04:16:31 (8976): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A03_0.pdb
QB_A01_A03_0.xml
QB_A01_A03_equil.pdb
QB_A01_A03.inpcrd
QB_A01_A03_input.yaml
QB_A01_A03_mdlambda.pdb
QB_A01_A03_min.pdb
QB_A01_A03_npt.pdb
QB_A01_A03.pdb
QB_A01_A03.prmtop
QB_A01_A03_sys.xml
QB_A01_A03_therm.pdb
run.bat
run.sh
04:16:34 (8976): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:16:34 (8976): 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\0\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\0\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
17:40:44 (8976): C:/Windows/system32/cmd.exe exited; CPU time 117715.359375
17:40:44 (8976): 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: 1819997411 bytes.
Dumping objects ->
{3835336} normal block at 0x00000232BA86D700, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835325} normal block at 0x00000232BA86CD60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835314} normal block at 0x00000232BA86DA80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835303} normal block at 0x00000232B8B80250, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835292} normal block at 0x00000232B8B802C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835261} normal block at 0x00000232BA8B6930, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835248} normal block at 0x00000232B8B7D260, 8 bytes long.
Data: < ¹2 > 00 00 0A B9 32 02 00 00
{3833965} normal block at 0x00000232B8B7D990, 8 bytes long.
Data: <pÖ¶¸2 > 70 D6 B6 B8 32 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000232B8B715D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000232B8B71DC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x00000232B8B86390, 16 bytes long.
Data: <xg¸¸2 > 78 67 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000232B8B859E0, 16 bytes long.
Data: <Pg¸¸2 > 50 67 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000232B8B81440, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000232B8B85CB0, 16 bytes long.
Data: <(g¸¸2 > 28 67 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000232B8B85C10, 16 bytes long.
Data: < g¸¸2 > 00 67 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000232B8B85FD0, 16 bytes long.
Data: <Øf¸¸2 > D8 66 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000232B8B85EE0, 16 bytes long.
Data: <°f¸¸2 > B0 66 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000232B8B806B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000232B8B862F0, 16 bytes long.
Data: <X´¶¸2 > 58 B4 B6 B8 32 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000232B8B813E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000232B8B858A0, 16 bytes long.
Data: <0´¶¸2 > 30 B4 B6 B8 32 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000232B8B85BC0, 16 bytes long.
Data: < ´¶¸2 > 08 B4 B6 B8 32 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000232B8B86110, 16 bytes long.
Data: <೶¸2 > E0 B3 B6 B8 32 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000232B8B85530, 16 bytes long.
Data: <¸³¶¸2 > B8 B3 B6 B8 32 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000232B8B862A0, 16 bytes long.
Data: < ³¶¸2 > 90 B3 B6 B8 32 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000232B8B85AD0, 16 bytes long.
Data: <h³¶¸2 > 68 B3 B6 B8 32 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000232B8B80CC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000232B8B85E90, 16 bytes long.
Data: <@³¶¸2 > 40 B3 B6 B8 32 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000232B8B6B340, 320 bytes long.
Data: < ^¸¸2 À ¸¸2 > 90 5E B8 B8 32 02 00 00 C0 0C B8 B8 32 02 00 00
{278} normal block at 0x00000232B8B86200, 16 bytes long.
Data: < f¸¸2 > 90 66 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000232B8B85A30, 16 bytes long.
Data: <hf¸¸2 > 68 66 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000232B8B81380, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000232B8B85C60, 16 bytes long.
Data: <@f¸¸2 > 40 66 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000232B8B80BA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000232B8B86250, 16 bytes long.
Data: < e¸¸2 > 88 65 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000232B8B85F80, 16 bytes long.
Data: <`e¸¸2 > 60 65 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000232B8B85DF0, 16 bytes long.
Data: <8e¸¸2 > 38 65 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000232B8B85E40, 16 bytes long.
Data: < e¸¸2 > 10 65 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000232B8B85D50, 16 bytes long.
Data: <èd¸¸2 > E8 64 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000232B8B85A80, 16 bytes long.
Data: <Àd¸¸2 > C0 64 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000232B8B863E0, 16 bytes long.
Data: <  ¸¸2 > A0 03 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000232B8B803A0, 40 bytes long.
Data: <àc¸¸2 0i‹º2 > E0 63 B8 B8 32 02 00 00 30 69 8B BA 32 02 00 00
{264} normal block at 0x00000232B8B85B20, 16 bytes long.
Data: < d¸¸2 > A0 64 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000232B8B858F0, 16 bytes long.
Data: <xd¸¸2 > 78 64 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000232B8B81140, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000232B8B86020, 16 bytes long.
Data: <Pd¸¸2 > 50 64 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000232B8B86450, 992 bytes long.
Data: < `¸¸2 @ ¸¸2 > 20 60 B8 B8 32 02 00 00 40 11 B8 B8 32 02 00 00
{96} normal block at 0x00000232B8B811A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000232B8B7D710, 16 bytes long.
Data: <à ¸¸2 > E0 08 B8 B8 32 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000232B8B808E0, 40 bytes long.
Data: < ×·¸2   ¸¸2 > 10 D7 B7 B8 32 02 00 00 A0 11 B8 B8 32 02 00 00
{73} normal block at 0x00000232B8B7DF30, 16 bytes long.
Data: < ê hö > 80 EA 02 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000232B8B7DE40, 16 bytes long.
Data: <@é hö > 40 E9 02 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000232B8B7D940, 16 bytes long.
Data: <øWÿgö > F8 57 FF 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000232B8B7D490, 16 bytes long.
Data: <ØWÿgö > D8 57 FF 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000232B8B7DCB0, 16 bytes long.
Data: <P ÿgö > 50 04 FF 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000232B8B7DF80, 16 bytes long.
Data: <0 ÿgö > 30 04 FF 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000232B8B7DDF0, 16 bytes long.
Data: <à ÿgö > E0 02 FF 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000232B8B7DC60, 16 bytes long.
Data: < ÿgö > 10 04 FF 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000232B8B7DAD0, 16 bytes long.
Data: <p ÿgö > 70 04 FF 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000232B8B7DEE0, 16 bytes long.
Data: < Àýgö > 18 C0 FD 67 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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