Task 38582255
| Name | HIF2A_A41_A01_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND1206_0 |
| Workunit | 31546591 |
| Created | 13 Dec 2025, 0:18:48 UTC |
| Sent | 13 Dec 2025, 0:18:51 UTC |
| Report deadline | 18 Dec 2025, 0:18:51 UTC |
| Received | 13 Dec 2025, 13:36:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 615763 |
| Run time | 5 hours 19 min 50 sec |
| CPU time | 5 hours 19 min 50 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 36,254.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 457.38 MB |
| Peak swap size | 6.62 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:22:52 (4084): wrapper (7.9.26016): starting
23:22:52 (4084): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A01_0.pdb
QB_A41_A01_0.xml
QB_A41_A01_equil.pdb
QB_A41_A01.inpcrd
QB_A41_A01_input.yaml
QB_A41_A01_mdlambda.pdb
QB_A41_A01_min.pdb
QB_A41_A01_npt.pdb
QB_A41_A01.pdb
QB_A41_A01.prmtop
QB_A41_A01_sys.xml
QB_A41_A01_therm.pdb
run.bat
run.sh
23:22:54 (4084): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:22:54 (4084): 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\10\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\10\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
05:35:48 (4084): C:/Windows/system32/cmd.exe exited; CPU time 19190.562500
05:35:48 (4084): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 307664301 bytes.
Dumping objects ->
{3835333} normal block at 0x000001E2B5A8CF10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835322} normal block at 0x000001E2B3E34D50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835311} normal block at 0x000001E2B3E349D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835300} normal block at 0x000001E2B3E34AB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835289} normal block at 0x000001E2B3E34A40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835258} normal block at 0x000001E2B5AD9B70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x000001E2B5981790, 235 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) : {3835244} normal block at 0x000001E2B3E2DBA0, 8 bytes long.
Data: < à³â > 00 00 E0 B3 E2 01 00 00
{3834596} normal block at 0x000001E2B59818C0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001E2B3E2D7E0, 8 bytes long.
Data: < Õá³â > 90 D5 E1 B3 E2 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E2B3E20B20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E2B3E224D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001E2B3E358C0, 16 bytes long.
Data: <¸eã³â > B8 65 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E2B3E35690, 16 bytes long.
Data: < eã³â > 90 65 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E2B3E30BC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001E2B3E361D0, 16 bytes long.
Data: <heã³â > 68 65 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E2B3E355A0, 16 bytes long.
Data: <@eã³â > 40 65 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E2B3E35550, 16 bytes long.
Data: < eã³â > 18 65 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E2B3E35780, 16 bytes long.
Data: <ðdã³â > F0 64 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E2B3E346C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001E2B3E35C80, 16 bytes long.
Data: <è â³â > E8 04 E2 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E2B3E307A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001E2B3E35B40, 16 bytes long.
Data: <À â³â > C0 04 E2 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E2B3E35870, 16 bytes long.
Data: < â³â > 98 04 E2 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E2B3E360E0, 16 bytes long.
Data: <p â³â > 70 04 E2 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E2B3E36040, 16 bytes long.
Data: <H â³â > 48 04 E2 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E2B3E36180, 16 bytes long.
Data: < â³â > 20 04 E2 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E2B3E35640, 16 bytes long.
Data: <ø â³â > F8 03 E2 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E2B3E31640, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001E2B3E35EB0, 16 bytes long.
Data: <Ð â³â > D0 03 E2 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E2B3E203D0, 320 bytes long.
Data: <°^ã³â @ ã³â > B0 5E E3 B3 E2 01 00 00 40 16 E3 B3 E2 01 00 00
{275} normal block at 0x000001E2B3E35E60, 16 bytes long.
Data: <Ðdã³â > D0 64 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E2B3E355F0, 16 bytes long.
Data: <¨dã³â > A8 64 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E2B3E31220, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001E2B3E35F50, 16 bytes long.
Data: < dã³â > 80 64 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E2B3E30F80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001E2B3E35500, 16 bytes long.
Data: <Ècã³â > C8 63 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E2B3E35FA0, 16 bytes long.
Data: < cã³â > A0 63 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E2B3E35DC0, 16 bytes long.
Data: <xcã³â > 78 63 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E2B3E36130, 16 bytes long.
Data: <Pcã³â > 50 63 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E2B3E36090, 16 bytes long.
Data: <(cã³â > 28 63 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E2B3E35D70, 16 bytes long.
Data: < cã³â > 00 63 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E2B3E35730, 16 bytes long.
Data: <ÀMã³â > C0 4D E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E2B3E34DC0, 40 bytes long.
Data: <0Wã³â p›­µâ > 30 57 E3 B3 E2 01 00 00 70 9B AD B5 E2 01 00 00
{261} normal block at 0x000001E2B3E35D20, 16 bytes long.
Data: <àbã³â > E0 62 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E2B3E35410, 16 bytes long.
Data: <¸bã³â > B8 62 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E2B3E30860, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001E2B3E35AA0, 16 bytes long.
Data: < bã³â > 90 62 E3 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E2B3E36290, 992 bytes long.
Data: < Zã³â ` ã³â > A0 5A E3 B3 E2 01 00 00 60 08 E3 B3 E2 01 00 00
{93} normal block at 0x000001E2B3E30A40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001E2B3E2D330, 16 bytes long.
Data: <pÑá³â > 70 D1 E1 B3 E2 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001E2B3E1D170, 40 bytes long.
Data: <0Óâ³â @ ã³â > 30 D3 E2 B3 E2 01 00 00 40 0A E3 B3 E2 01 00 00
{70} normal block at 0x000001E2B3E2D970, 16 bytes long.
Data: < êM$ö > 80 EA 4D 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E2B3E2DC40, 16 bytes long.
Data: <@éM$ö > 40 E9 4D 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E2B3E2D6A0, 16 bytes long.
Data: <øWJ$ö > F8 57 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E2B3E2DAB0, 16 bytes long.
Data: <ØWJ$ö > D8 57 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E2B3E2D880, 16 bytes long.
Data: <P J$ö > 50 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E2B3E2DE20, 16 bytes long.
Data: <0 J$ö > 30 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E2B3E2DA60, 16 bytes long.
Data: <à J$ö > E0 02 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E2B3E2CFC0, 16 bytes long.
Data: < J$ö > 10 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E2B3E2CF70, 16 bytes long.
Data: <p J$ö > 70 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E2B3E2D1A0, 16 bytes long.
Data: < ÀH$ö > 18 C0 48 24 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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