Task 38583578
| Name | HIF2A_A41_A42_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND2433_0 |
| Workunit | 31547675 |
| Created | 14 Dec 2025, 9:29:36 UTC |
| Sent | 14 Dec 2025, 9:29:40 UTC |
| Report deadline | 19 Dec 2025, 9:29:40 UTC |
| Received | 14 Dec 2025, 13:24:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631297 |
| Run time | 3 hours 53 min 2 sec |
| CPU time | 3 hours 16 min 43 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 24,402.12 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 495.24 MB |
| Peak swap size | 6.53 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:31:29 (42464): wrapper (7.9.26016): starting
10:31:29 (42464): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A42_0.pdb
QB_A41_A42_0.xml
QB_A41_A42_equil.pdb
QB_A41_A42.inpcrd
QB_A41_A42_input.yaml
QB_A41_A42_mdlambda.pdb
QB_A41_A42_min.pdb
QB_A41_A42_npt.pdb
QB_A41_A42.pdb
QB_A41_A42.prmtop
QB_A41_A42_sys.xml
QB_A41_A42_therm.pdb
run.bat
run.sh
10:31:31 (42464): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:31:32 (42464): 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
14:23:05 (42464): C:/Windows/system32/cmd.exe exited; CPU time 11803.515625
14:23:05 (42464): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 224110079 bytes.
Dumping objects ->
{3835238} normal block at 0x00000163BD5C5F10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835227} normal block at 0x00000163BB936040, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835216} normal block at 0x00000163BB936120, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835205} normal block at 0x00000163BB935FD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x00000163BB935E80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835163} normal block at 0x00000163BD56AAF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835152} normal block at 0x00000163BD5802F0, 102 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) : {3835149} normal block at 0x00000163BB92E910, 8 bytes long.
Data: < .½c > 00 00 2E BD 63 01 00 00
{3834547} normal block at 0x00000163BD57FED0, 102 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 0x00000163BB92E960, 8 bytes long.
Data: <Àב»c > C0 D7 91 BB 63 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000163BB921470, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000163BB922000, 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 0x00000163BB9375E0, 16 bytes long.
Data: <xy“»c > 78 79 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000163BB936C30, 16 bytes long.
Data: <Py“»c > 50 79 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000163BB931290, 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 0x00000163BB936B40, 16 bytes long.
Data: <(y“»c > 28 79 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000163BB937090, 16 bytes long.
Data: < y“»c > 00 79 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000163BB936BE0, 16 bytes long.
Data: <Øx“»c > D8 78 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000163BB936F00, 16 bytes long.
Data: <°x“»c > B0 78 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000163BB936200, 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 0x00000163BB936E60, 16 bytes long.
Data: <ø ’»c > F8 07 92 BB 63 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000163BB9310B0, 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 0x00000163BB936F50, 16 bytes long.
Data: <Ð ’»c > D0 07 92 BB 63 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000163BB937400, 16 bytes long.
Data: <¨ ’»c > A8 07 92 BB 63 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000163BB936E10, 16 bytes long.
Data: < ’»c > 80 07 92 BB 63 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000163BB936DC0, 16 bytes long.
Data: <X ’»c > 58 07 92 BB 63 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000163BB9369B0, 16 bytes long.
Data: <0 ’»c > 30 07 92 BB 63 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000163BB936D70, 16 bytes long.
Data: < ’»c > 08 07 92 BB 63 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000163BB930F90, 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 0x00000163BB936AA0, 16 bytes long.
Data: <à ’»c > E0 06 92 BB 63 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000163BB9206E0, 320 bytes long.
Data: < j“»c “»c > A0 6A 93 BB 63 01 00 00 90 0F 93 BB 63 01 00 00
{275} normal block at 0x00000163BB937540, 16 bytes long.
Data: < x“»c > 90 78 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000163BB9374F0, 16 bytes long.
Data: <hx“»c > 68 78 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000163BB930ED0, 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 0x00000163BB936960, 16 bytes long.
Data: <@x“»c > 40 78 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000163BB930F30, 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 0x00000163BB936B90, 16 bytes long.
Data: < w“»c > 88 77 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000163BB936EB0, 16 bytes long.
Data: <`w“»c > 60 77 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000163BB937270, 16 bytes long.
Data: <8w“»c > 38 77 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000163BB9373B0, 16 bytes long.
Data: < w“»c > 10 77 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000163BB936C80, 16 bytes long.
Data: <èv“»c > E8 76 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000163BB936FF0, 16 bytes long.
Data: <Àv“»c > C0 76 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000163BB936CD0, 16 bytes long.
Data: < a“»c > 90 61 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000163BB936190, 40 bytes long.
Data: <Ðl“»c ðªV½c > D0 6C 93 BB 63 01 00 00 F0 AA 56 BD 63 01 00 00
{261} normal block at 0x00000163BB937590, 16 bytes long.
Data: < v“»c > A0 76 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000163BB936AF0, 16 bytes long.
Data: <xv“»c > 78 76 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000163BB930930, 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 0x00000163BB9370E0, 16 bytes long.
Data: <Pv“»c > 50 76 93 BB 63 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000163BB937650, 992 bytes long.
Data: <àp“»c 0 “»c > E0 70 93 BB 63 01 00 00 30 09 93 BB 63 01 00 00
{93} normal block at 0x00000163BB930750, 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 0x00000163BB92E190, 16 bytes long.
Data: < à‘»c > 20 E0 91 BB 63 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000163BB91E020, 40 bytes long.
Data: < á’»c P “»c > 90 E1 92 BB 63 01 00 00 50 07 93 BB 63 01 00 00
{70} normal block at 0x00000163BB92E0A0, 16 bytes long.
Data: < êl ö > 80 EA 6C 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000163BB92EBE0, 16 bytes long.
Data: <@él ö > 40 E9 6C 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000163BB92E230, 16 bytes long.
Data: <øWi ö > F8 57 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000163BB92E370, 16 bytes long.
Data: <ØWi ö > D8 57 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000163BB92E550, 16 bytes long.
Data: <P i ö > 50 04 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000163BB92ED20, 16 bytes long.
Data: <0 i ö > 30 04 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000163BB92E8C0, 16 bytes long.
Data: <à i ö > E0 02 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000163BB92E140, 16 bytes long.
Data: < i ö > 10 04 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000163BB92E690, 16 bytes long.
Data: <p i ö > 70 04 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000163BB92EAA0, 16 bytes long.
Data: < Àg ö > 18 C0 67 12 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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