Task 38581904
| Name | HIF2A_A07_A04_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND2880_0 |
| Workunit | 31546298 |
| Created | 12 Dec 2025, 17:08:02 UTC |
| Sent | 12 Dec 2025, 17:08:09 UTC |
| Report deadline | 17 Dec 2025, 17:08:09 UTC |
| Received | 12 Dec 2025, 23:17:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644324 |
| Run time | 6 hours 7 min 16 sec |
| CPU time | 5 hours 39 min 28 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 3,998.32 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 406.24 MB |
| Peak swap size | 1.87 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
01:11:05 (15148): wrapper (7.9.26016): starting
01:11:06 (15148): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A04_0.pdb
QB_A07_A04_0.xml
QB_A07_A04_equil.pdb
QB_A07_A04.inpcrd
QB_A07_A04_input.yaml
QB_A07_A04_mdlambda.pdb
QB_A07_A04_min.pdb
QB_A07_A04_npt.pdb
QB_A07_A04.pdb
QB_A07_A04.prmtop
QB_A07_A04_sys.xml
QB_A07_A04_therm.pdb
run.bat
run.sh
01:11:07 (15148): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:11:07 (15148): 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\2\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\2\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
07:16:33 (15148): C:/Windows/system32/cmd.exe exited; CPU time 20368.640625
07:16:33 (15148): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 282480785 bytes.
Dumping objects ->
{3835605} normal block at 0x000001B75BCF47C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835594} normal block at 0x000001B75BCF4600, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835583} normal block at 0x000001B75BCF4520, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835572} normal block at 0x000001B75BCF4D00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835561} normal block at 0x000001B759D89FB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835530} normal block at 0x000001B75BC59B30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835519} normal block at 0x000001B75BCF7590, 140 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) : {3835515} normal block at 0x000001B759D868E0, 8 bytes long.
Data: < Y > 00 00 D6 59 B7 01 00 00
{3834750} normal block at 0x000001B75BCF74C0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834033} normal block at 0x000001B759D86840, 8 bytes long.
Data: < G}[ > B0 47 7D 5B B7 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001B759D8D9A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B759D7B890, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001B759D91930, 16 bytes long.
Data: <h( Y > 68 28 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B759D91840, 16 bytes long.
Data: <@( Y > 40 28 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B759D8B9D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001B759D917F0, 16 bytes long.
Data: < ( Y > 18 28 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B759D910C0, 16 bytes long.
Data: < ' Y > F0 27 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B759D916B0, 16 bytes long.
Data: < ' Y > C8 27 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B759D918E0, 16 bytes long.
Data: < ' Y > A0 27 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B759D8A020, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001B759D912F0, 16 bytes long.
Data: < Y > E8 B1 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B759D8BF70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001B759D90FD0, 16 bytes long.
Data: < Y > C0 B1 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B759D91D90, 16 bytes long.
Data: < Y > 98 B1 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B759D91250, 16 bytes long.
Data: <p Y > 70 B1 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B759D91D40, 16 bytes long.
Data: <H Y > 48 B1 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B759D91C00, 16 bytes long.
Data: < Y > 20 B1 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B759D91A70, 16 bytes long.
Data: < Y > F8 B0 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B759D8B850, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001B759D91200, 16 bytes long.
Data: < Y > D0 B0 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B759D8B0D0, 320 bytes long.
Data: < Y P Y > 00 12 D9 59 B7 01 00 00 50 B8 D8 59 B7 01 00 00
{270} normal block at 0x000001B759D91890, 16 bytes long.
Data: < ' Y > 80 27 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B759D917A0, 16 bytes long.
Data: <X' Y > 58 27 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B759D8B3D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001B759D91ED0, 16 bytes long.
Data: <0' Y > 30 27 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B759D8B4F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001B759D91BB0, 16 bytes long.
Data: <x& Y > 78 26 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B759D91750, 16 bytes long.
Data: <P& Y > 50 26 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B759D91B10, 16 bytes long.
Data: <(& Y > 28 26 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B759D91070, 16 bytes long.
Data: < & Y > 00 26 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B759D91660, 16 bytes long.
Data: < % Y > D8 25 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B759D91E80, 16 bytes long.
Data: < % Y > B0 25 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B759D91700, 16 bytes long.
Data: < Y > 10 A4 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B759D8A410, 40 bytes long.
Data: < Y 0 [ > 00 17 D9 59 B7 01 00 00 30 9B C5 5B B7 01 00 00
{256} normal block at 0x000001B759D91B60, 16 bytes long.
Data: < % Y > 90 25 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B759D914D0, 16 bytes long.
Data: <h% Y > 68 25 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001B759D8B370, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001B759D915C0, 16 bytes long.
Data: <@% Y > 40 25 D9 59 B7 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001B759D92540, 992 bytes long.
Data: < Y p Y > C0 15 D9 59 B7 01 00 00 70 B3 D8 59 B7 01 00 00
{88} normal block at 0x000001B759D8B310, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001B759D86890, 16 bytes long.
Data: < Y > 90 A0 D8 59 B7 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001B759D8A090, 40 bytes long.
Data: < h Y Y > 90 68 D8 59 B7 01 00 00 10 B3 D8 59 B7 01 00 00
{63} normal block at 0x000001B759D86C50, 16 bytes long.
Data: < / > 80 EA 2F 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B759D865C0, 16 bytes long.
Data: <@ / > 40 E9 2F 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B759D86570, 16 bytes long.
Data: < W, > F8 57 2C 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B759D861B0, 16 bytes long.
Data: < W, > D8 57 2C 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B759D860C0, 16 bytes long.
Data: <P , > 50 04 2C 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B759D862A0, 16 bytes long.
Data: <0 , > 30 04 2C 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B759D86520, 16 bytes long.
Data: < , > E0 02 2C 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001B759D86020, 16 bytes long.
Data: < , > 10 04 2C 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001B759D86BB0, 16 bytes long.
Data: <p , > 70 04 2C 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001B759D86A70, 16 bytes long.
Data: < * > 18 C0 2A 04 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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