Task 38584401
| Name | HIF2A_A02_A11_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND4858_0 |
| Workunit | 31547968 |
| Created | 17 Dec 2025, 16:07:54 UTC |
| Sent | 17 Dec 2025, 16:07:57 UTC |
| Report deadline | 22 Dec 2025, 16:07:57 UTC |
| Received | 17 Dec 2025, 23:31:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 620523 |
| Run time | 6 hours 46 min 29 sec |
| CPU time | 6 hours 11 min 2 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 4,378.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 423.30 MB |
| Peak swap size | 2.65 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
02:35:25 (18268): wrapper (7.9.26016): starting
02:35:25 (18268): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A11_0.pdb
QB_A02_A11_0.xml
QB_A02_A11_equil.pdb
QB_A02_A11.inpcrd
QB_A02_A11_input.yaml
QB_A02_A11_mdlambda.pdb
QB_A02_A11_min.pdb
QB_A02_A11_npt.pdb
QB_A02_A11.pdb
QB_A02_A11.prmtop
QB_A02_A11_sys.xml
QB_A02_A11_therm.pdb
run.bat
run.sh
02:35:26 (18268): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:35:26 (18268): 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\1\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\1\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
09:30:36 (18268): C:/Windows/system32/cmd.exe exited; CPU time 22262.015625
09:30:36 (18268): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 284631173 bytes.
Dumping objects ->
{3835300} normal block at 0x0000016A1CC947B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835289} normal block at 0x0000016A1CC94820, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835278} normal block at 0x0000016A1CC94740, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835267} normal block at 0x0000016A1CC94900, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x0000016A1CC94AC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835225} normal block at 0x0000016A1E7DB3C0, 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) : {3835212} normal block at 0x0000016A1CC6DF10, 8 bytes long.
Data: < \ j > 00 00 5C 1E 6A 01 00 00
{3833945} normal block at 0x0000016A1CC6DF60, 8 bytes long.
Data: <`cƒ j > 60 63 83 1E 6A 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000016A1CC6FE60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016A1CC6B960, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000016A1CC66920, 16 bytes long.
Data: < $Ç j > 98 24 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016A1CC66830, 16 bytes long.
Data: <p$Ç j > 70 24 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016A1CC6BD40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000016A1CC66790, 16 bytes long.
Data: <H$Ç j > 48 24 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016A1CC666F0, 16 bytes long.
Data: < $Ç j > 20 24 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016A1CC66060, 16 bytes long.
Data: <ø#Ç j > F8 23 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016A1CC666A0, 16 bytes long.
Data: <Ð#Ç j > D0 23 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016A1CC6A7A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000016A1CC669C0, 16 bytes long.
Data: <ø¸Æ j > F8 B8 C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016A1CC6C040, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000016A1CC66290, 16 bytes long.
Data: <Ð¸Æ j > D0 B8 C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016A1CC65FC0, 16 bytes long.
Data: <¨¸Æ j > A8 B8 C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016A1CC661F0, 16 bytes long.
Data: < ¸Æ j > 80 B8 C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016A1CC65DE0, 16 bytes long.
Data: <X¸Æ j > 58 B8 C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016A1CC6E3C0, 16 bytes long.
Data: <0¸Æ j > 30 B8 C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016A1CC6E2D0, 16 bytes long.
Data: < ¸Æ j > 08 B8 C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016A1CC6BE00, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x0000016A1CC6E280, 16 bytes long.
Data: <à·Æ j > E0 B7 C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016A1CC6B7E0, 320 bytes long.
Data: < âÆ j ¾Æ j > 80 E2 C6 1C 6A 01 00 00 00 BE C6 1C 6A 01 00 00
{268} normal block at 0x0000016A1CC6E1E0, 16 bytes long.
Data: <°#Ç j > B0 23 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016A1CC6E140, 16 bytes long.
Data: < #Ç j > 88 23 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016A1CC6BB00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000016A1CC6E640, 16 bytes long.
Data: <`#Ç j > 60 23 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016A1CC6C5E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000016A1CC6E550, 16 bytes long.
Data: <¨"Ç j > A8 22 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016A1CC6E0F0, 16 bytes long.
Data: < "Ç j > 80 22 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016A1CC6E4B0, 16 bytes long.
Data: <X"Ç j > 58 22 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016A1CC6E050, 16 bytes long.
Data: <0"Ç j > 30 22 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016A1CC6E320, 16 bytes long.
Data: < "Ç j > 08 22 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000016A1CC6E000, 16 bytes long.
Data: <à!Ç j > E0 21 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000016A1CC6E5F0, 16 bytes long.
Data: <@ªÆ j > 40 AA C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000016A1CC6AA40, 40 bytes long.
Data: <ðåÆ j À³} j > F0 E5 C6 1C 6A 01 00 00 C0 B3 7D 1E 6A 01 00 00
{254} normal block at 0x0000016A1CC6E500, 16 bytes long.
Data: <À!Ç j > C0 21 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000016A1CC6E5A0, 16 bytes long.
Data: < !Ç j > 98 21 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000016A1CC6C580, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000016A1CC6E0A0, 16 bytes long.
Data: <p!Ç j > 70 21 C7 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000016A1CC72170, 992 bytes long.
Data: < àÆ j ÅÆ j > A0 E0 C6 1C 6A 01 00 00 80 C5 C6 1C 6A 01 00 00
{86} normal block at 0x0000016A1CC6C280, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000016A1CC66560, 16 bytes long.
Data: <P­Æ j > 50 AD C6 1C 6A 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000016A1CC6AD50, 40 bytes long.
Data: <`eÆ j ÂÆ j > 60 65 C6 1C 6A 01 00 00 80 C2 C6 1C 6A 01 00 00
{63} normal block at 0x0000016A1CC65B10, 16 bytes long.
Data: < êÃÇ÷ > 80 EA C3 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016A1CC668D0, 16 bytes long.
Data: <@éÃÇ÷ > 40 E9 C3 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016A1CC66240, 16 bytes long.
Data: <øWÀÇ÷ > F8 57 C0 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016A1CC66380, 16 bytes long.
Data: <ØWÀÇ÷ > D8 57 C0 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016A1CC65BB0, 16 bytes long.
Data: <P ÀÇ÷ > 50 04 C0 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000016A1CC66470, 16 bytes long.
Data: <0 ÀÇ÷ > 30 04 C0 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000016A1CC66740, 16 bytes long.
Data: <à ÀÇ÷ > E0 02 C0 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000016A1CC663D0, 16 bytes long.
Data: < ÀÇ÷ > 10 04 C0 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000016A1CC66010, 16 bytes long.
Data: <p ÀÇ÷ > 70 04 C0 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000016A1CC66880, 16 bytes long.
Data: < À¾Ç÷ > 18 C0 BE C7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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