Task 38582852
| Name | HIF2A_A29_A02_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND4892_0 |
| Workunit | 31547090 |
| Created | 13 Dec 2025, 13:08:45 UTC |
| Sent | 13 Dec 2025, 13:08:48 UTC |
| Report deadline | 18 Dec 2025, 13:08:48 UTC |
| Received | 13 Dec 2025, 16:01:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 518555 |
| Run time | 2 hours 50 min 45 sec |
| CPU time | 2 hours 39 min 31 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,470.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 449.38 MB |
| Peak swap size | 3.42 GB |
| Peak disk usage | 4.01 GB |
Stderr output
<core_client_version>7.16.7</core_client_version>
<![CDATA[
<stderr_txt>
08:10:52 (31508): wrapper (7.9.26016): starting
08:10:52 (31508): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A02_0.pdb
QB_A29_A02_0.xml
QB_A29_A02_equil.pdb
QB_A29_A02.inpcrd
QB_A29_A02_input.yaml
QB_A29_A02_mdlambda.pdb
QB_A29_A02_min.pdb
QB_A29_A02_npt.pdb
QB_A29_A02.pdb
QB_A29_A02.prmtop
QB_A29_A02_sys.xml
QB_A29_A02_therm.pdb
run.bat
run.sh
08:10:53 (31508): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:10:53 (31508): 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
11:00:50 (31508): C:/Windows/system32/cmd.exe exited; CPU time 9571.000000
11:00:50 (31508): 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: 218233415 bytes.
Dumping objects ->
{3835264} normal block at 0x000001F0D8D9D920, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835253} normal block at 0x000001F0D8D9D610, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x000001F0D7214E90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835231} normal block at 0x000001F0D72149C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x000001F0D7214A30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835189} normal block at 0x000001F0D8DE9130, 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) : {3835176} normal block at 0x000001F0D720DF40, 8 bytes long.
Data: < ×ð > 00 00 1E D7 F0 01 00 00
{3833969} normal block at 0x000001F0D720D860, 8 bytes long.
Data: < 5çØð > 10 35 E7 D8 F0 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F0D7201750, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001F0D7202720, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001F0D72160F0, 16 bytes long.
Data: <xj!×ð > 78 6A 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F0D72160A0, 16 bytes long.
Data: <Pj!×ð > 50 6A 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F0D720FD60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001F0D7215FB0, 16 bytes long.
Data: <(j!×ð > 28 6A 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F0D7216280, 16 bytes long.
Data: < j!×ð > 00 6A 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F0D7216320, 16 bytes long.
Data: <Øi!×ð > D8 69 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F0D7215970, 16 bytes long.
Data: <°i!×ð > B0 69 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F0D7214CD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001F0D7215920, 16 bytes long.
Data: <X ×ð > 58 08 20 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F0D72100C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001F0D7216690, 16 bytes long.
Data: <0 ×ð > 30 08 20 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F0D72165F0, 16 bytes long.
Data: < ×ð > 08 08 20 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F0D72159C0, 16 bytes long.
Data: <à ×ð > E0 07 20 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F0D7215B00, 16 bytes long.
Data: <¸ ×ð > B8 07 20 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F0D7215AB0, 16 bytes long.
Data: < ×ð > 90 07 20 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F0D7215830, 16 bytes long.
Data: <h ×ð > 68 07 20 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F0D720F700, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001F0D7216050, 16 bytes long.
Data: <@ ×ð > 40 07 20 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F0D7200740, 320 bytes long.
Data: <P`!×ð ÷ ×ð > 50 60 21 D7 F0 01 00 00 00 F7 20 D7 F0 01 00 00
{280} normal block at 0x000001F0D7215F60, 16 bytes long.
Data: < i!×ð > 90 69 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F0D7216460, 16 bytes long.
Data: <hi!×ð > 68 69 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F0D720FD00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001F0D7215C90, 16 bytes long.
Data: <@i!×ð > 40 69 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F0D720F6A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001F0D7215BF0, 16 bytes long.
Data: < h!×ð > 88 68 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F0D7215DD0, 16 bytes long.
Data: <`h!×ð > 60 68 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F0D7216500, 16 bytes long.
Data: <8h!×ð > 38 68 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F0D7215D80, 16 bytes long.
Data: < h!×ð > 10 68 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F0D72162D0, 16 bytes long.
Data: <èg!×ð > E8 67 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F0D72161E0, 16 bytes long.
Data: <Àg!×ð > C0 67 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F0D7215880, 16 bytes long.
Data: <@M!×ð > 40 4D 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F0D7214D40, 40 bytes long.
Data: < X!×ð 0‘ÞØð > 80 58 21 D7 F0 01 00 00 30 91 DE D8 F0 01 00 00
{266} normal block at 0x000001F0D7215BA0, 16 bytes long.
Data: < g!×ð > A0 67 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F0D7216640, 16 bytes long.
Data: <xg!×ð > 78 67 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F0D720F640, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001F0D7216140, 16 bytes long.
Data: <Pg!×ð > 50 67 21 D7 F0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F0D7216750, 992 bytes long.
Data: <@a!×ð @ö ×ð > 40 61 21 D7 F0 01 00 00 40 F6 20 D7 F0 01 00 00
{98} normal block at 0x000001F0D7210120, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001F0D720D9A0, 16 bytes long.
Data: < à ×ð > 00 E0 1F D7 F0 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001F0D71FE000, 40 bytes long.
Data: < Ù ×ð !×ð > A0 D9 20 D7 F0 01 00 00 20 01 21 D7 F0 01 00 00
{75} normal block at 0x000001F0D720DB80, 16 bytes long.
Data: < ê ï÷ > 80 EA 03 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F0D720DC20, 16 bytes long.
Data: <@é ï÷ > 40 E9 03 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F0D720DE00, 16 bytes long.
Data: <øW ï÷ > F8 57 00 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F0D720D4A0, 16 bytes long.
Data: <ØW ï÷ > D8 57 00 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F0D720DEA0, 16 bytes long.
Data: <P ï÷ > 50 04 00 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F0D720DBD0, 16 bytes long.
Data: <0 ï÷ > 30 04 00 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F0D720D400, 16 bytes long.
Data: <à ï÷ > E0 02 00 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F0D720D2C0, 16 bytes long.
Data: < ï÷ > 10 04 00 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F0D720D1D0, 16 bytes long.
Data: <p ï÷ > 70 04 00 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F0D720DD60, 16 bytes long.
Data: < Àþî÷ > 18 C0 FE EE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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