Task 38582016
| Name | HIF2A_A41_A19_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND1416_0 |
| Workunit | 31546391 |
| Created | 12 Dec 2025, 19:17:17 UTC |
| Sent | 12 Dec 2025, 19:17:20 UTC |
| Report deadline | 17 Dec 2025, 19:17:20 UTC |
| Received | 13 Dec 2025, 4:48:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629402 |
| Run time | 2 hours 48 min 17 sec |
| CPU time | 1 hours 53 min 14 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,624.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 496.28 MB |
| Peak swap size | 12.57 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:59:50 (54308): wrapper (7.9.26016): starting
19:59:50 (54308): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A19_0.pdb
QB_A41_A19_0.xml
QB_A41_A19_equil.pdb
QB_A41_A19.inpcrd
QB_A41_A19_input.yaml
QB_A41_A19_mdlambda.pdb
QB_A41_A19_min.pdb
QB_A41_A19_npt.pdb
QB_A41_A19.pdb
QB_A41_A19.prmtop
QB_A41_A19_sys.xml
QB_A41_A19_therm.pdb
run.bat
run.sh
19:59:51 (54308): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:59:51 (54308): 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\6\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\6\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
22:47:22 (54308): C:/Windows/system32/cmd.exe exited; CPU time 6794.562500
22:47:22 (54308): 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: 182848755 bytes.
Dumping objects ->
{3835309} normal block at 0x000002DD870D7FD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000002DD870D7860, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000002DD870D7400, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x000002DD853749E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000002DD85374970, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x000002DD870E45A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000002DD870FE310, 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) : {3835220} normal block at 0x000002DD8536D470, 8 bytes long.
Data: < 4…Ý > 00 00 34 85 DD 02 00 00
{3834573} normal block at 0x000002DD870FE260, 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 0x000002DD8536D420, 8 bytes long.
Data: <°ßõ†Ý > B0 DF F5 86 DD 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002DD85361890, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002DD853606C0, 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 0x000002DD85375E70, 16 bytes long.
Data: <xg7…Ý > 78 67 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002DD85375830, 16 bytes long.
Data: <Pg7…Ý > 50 67 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002DD85370B70, 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 0x000002DD85375E20, 16 bytes long.
Data: <(g7…Ý > 28 67 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002DD85375970, 16 bytes long.
Data: < g7…Ý > 00 67 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002DD85375B50, 16 bytes long.
Data: <Øf7…Ý > D8 66 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002DD85376050, 16 bytes long.
Data: <°f7…Ý > B0 66 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002DD853746D0, 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 0x000002DD85376000, 16 bytes long.
Data: < '6…Ý > 18 27 36 85 DD 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002DD853708D0, 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 0x000002DD85375DD0, 16 bytes long.
Data: <ð&6…Ý > F0 26 36 85 DD 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002DD85375510, 16 bytes long.
Data: <È&6…Ý > C8 26 36 85 DD 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002DD85375BF0, 16 bytes long.
Data: < &6…Ý > A0 26 36 85 DD 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002DD85375D80, 16 bytes long.
Data: <x&6…Ý > 78 26 36 85 DD 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002DD85375A60, 16 bytes long.
Data: <P&6…Ý > 50 26 36 85 DD 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002DD85375C40, 16 bytes long.
Data: <(&6…Ý > 28 26 36 85 DD 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002DD85370870, 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 0x000002DD85375C90, 16 bytes long.
Data: < &6…Ý > 00 26 36 85 DD 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002DD85362600, 320 bytes long.
Data: < \7…Ý p 7…Ý > 90 5C 37 85 DD 02 00 00 70 08 37 85 DD 02 00 00
{275} normal block at 0x000002DD853760A0, 16 bytes long.
Data: < f7…Ý > 90 66 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002DD853754C0, 16 bytes long.
Data: <hf7…Ý > 68 66 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002DD85370B10, 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 0x000002DD853757E0, 16 bytes long.
Data: <@f7…Ý > 40 66 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002DD853711D0, 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 0x000002DD85375D30, 16 bytes long.
Data: < e7…Ý > 88 65 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002DD85375880, 16 bytes long.
Data: <`e7…Ý > 60 65 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002DD85375560, 16 bytes long.
Data: <8e7…Ý > 38 65 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002DD853760F0, 16 bytes long.
Data: < e7…Ý > 10 65 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002DD85375790, 16 bytes long.
Data: <èd7…Ý > E8 64 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002DD85375420, 16 bytes long.
Data: <Àd7…Ý > C0 64 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002DD85375650, 16 bytes long.
Data: < K7…Ý > A0 4B 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002DD85374BA0, 40 bytes long.
Data: <PV7…Ý  E ‡Ý > 50 56 37 85 DD 02 00 00 A0 45 0E 87 DD 02 00 00
{261} normal block at 0x000002DD853756A0, 16 bytes long.
Data: < d7…Ý > A0 64 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002DD85375F60, 16 bytes long.
Data: <xd7…Ý > 78 64 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002DD853713B0, 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 0x000002DD853755B0, 16 bytes long.
Data: <Pd7…Ý > 50 64 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002DD85376450, 992 bytes long.
Data: <°U7…Ý ° 7…Ý > B0 55 37 85 DD 02 00 00 B0 13 37 85 DD 02 00 00
{93} normal block at 0x000002DD85371350, 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 0x000002DD8536D5B0, 16 bytes long.
Data: <ÀJ7…Ý > C0 4A 37 85 DD 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002DD85374AC0, 40 bytes long.
Data: <°Õ6…Ý P 7…Ý > B0 D5 36 85 DD 02 00 00 50 13 37 85 DD 02 00 00
{70} normal block at 0x000002DD8536D3D0, 16 bytes long.
Data: < ê Q÷ > 80 EA 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002DD8536D0B0, 16 bytes long.
Data: <@é Q÷ > 40 E9 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002DD8536CF20, 16 bytes long.
Data: <øW Q÷ > F8 57 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002DD8536D290, 16 bytes long.
Data: <ØW Q÷ > D8 57 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002DD8536D920, 16 bytes long.
Data: <P Q÷ > 50 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002DD8536D2E0, 16 bytes long.
Data: <0 Q÷ > 30 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002DD8536DBF0, 16 bytes long.
Data: <à Q÷ > E0 02 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002DD8536DAB0, 16 bytes long.
Data: < Q÷ > 10 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002DD8536D240, 16 bytes long.
Data: <p Q÷ > 70 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002DD8536D330, 16 bytes long.
Data: < À Q÷ > 18 C0 1A 51 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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