Task 38583221
| Name | HIF2A_A14_A20_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-4-5-RND0867_1 |
| Workunit | 31547372 |
| Created | 13 Dec 2025, 22:45:19 UTC |
| Sent | 13 Dec 2025, 22:45:21 UTC |
| Report deadline | 18 Dec 2025, 22:45:21 UTC |
| Received | 14 Dec 2025, 2:09:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 198644 |
| Run time | 3 hours 24 min 1 sec |
| CPU time | 3 hours 35 min 51 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 44,610.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 475.26 MB |
| Peak swap size | 12.61 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:46:51 (11496): wrapper (7.9.26016): starting
14:46:51 (11496): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A20_0.pdb
QB_A14_A20_0.xml
QB_A14_A20_equil.pdb
QB_A14_A20.inpcrd
QB_A14_A20_input.yaml
QB_A14_A20_mdlambda.pdb
QB_A14_A20_min.pdb
QB_A14_A20_npt.pdb
QB_A14_A20.pdb
QB_A14_A20.prmtop
QB_A14_A20_sys.xml
QB_A14_A20_therm.pdb
run.bat
run.sh
14:46:52 (11496): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:46:52 (11496): 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\2\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\2\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
18:08:18 (11496): C:/Windows/system32/cmd.exe exited; CPU time 12951.218750
18:08:18 (11496): 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: 130183591 bytes.
Dumping objects ->
{3835304} normal block at 0x000001B3C56C7000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835293} normal block at 0x000001B3C56C6A50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835282} normal block at 0x000001B3C56C6C80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835271} normal block at 0x000001B3C56C6B30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835260} normal block at 0x000001B3C56C6F90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835229} normal block at 0x000001B3C566B7C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x000001B3C56CCE90, 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) : {3835215} normal block at 0x000001B3C39E6F70, 8 bytes long.
Data: < –ó > 00 00 96 C3 B3 01 00 00
{3834564} normal block at 0x000001B3C56CCDE0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001B3C39E6700, 8 bytes long.
Data: <`ylų > 60 79 6C C5 B3 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001B3C39F0C50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B3C39DADA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001B3C39F1CE0, 16 bytes long.
Data: <È3ŸÃ³ > C8 33 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B3C39F2640, 16 bytes long.
Data: < 3ŸÃ³ > A0 33 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B3C39ED2C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001B3C39F2B40, 16 bytes long.
Data: <x3ŸÃ³ > 78 33 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B3C39F2780, 16 bytes long.
Data: <P3ŸÃ³ > 50 33 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B3C39F28C0, 16 bytes long.
Data: <(3ŸÃ³ > 28 33 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B3C39F2AA0, 16 bytes long.
Data: < 3ŸÃ³ > 00 33 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B3C39EB020, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001B3C39F1DD0, 16 bytes long.
Data: <xÁžÃ³ > 78 C1 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B3C39ED680, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001B3C39F24B0, 16 bytes long.
Data: <PÁžÃ³ > 50 C1 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B3C39F2320, 16 bytes long.
Data: <(ÁžÃ³ > 28 C1 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B3C39F2230, 16 bytes long.
Data: < ÁžÃ³ > 00 C1 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B3C39F23C0, 16 bytes long.
Data: <ØÀžÃ³ > D8 C0 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B3C39F2870, 16 bytes long.
Data: <°ÀžÃ³ > B0 C0 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B3C39F26E0, 16 bytes long.
Data: < ÀžÃ³ > 88 C0 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B3C39ED9E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001B3C39F2BE0, 16 bytes long.
Data: <`ÀžÃ³ > 60 C0 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B3C39EC060, 320 bytes long.
Data: <à+ŸÃ³ àٞó > E0 2B 9F C3 B3 01 00 00 E0 D9 9E C3 B3 01 00 00
{269} normal block at 0x000001B3C39F2730, 16 bytes long.
Data: <à2ŸÃ³ > E0 32 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B3C39F2690, 16 bytes long.
Data: <¸2ŸÃ³ > B8 32 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B3C39ED380, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001B3C39F2AF0, 16 bytes long.
Data: < 2ŸÃ³ > 90 32 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B3C39EDB60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001B3C39F2550, 16 bytes long.
Data: <Ø1ŸÃ³ > D8 31 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B3C39F1EC0, 16 bytes long.
Data: <°1ŸÃ³ > B0 31 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B3C39F29B0, 16 bytes long.
Data: < 1ŸÃ³ > 88 31 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B3C39F22D0, 16 bytes long.
Data: <`1ŸÃ³ > 60 31 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B3C39F2280, 16 bytes long.
Data: <81ŸÃ³ > 38 31 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B3C39F1E70, 16 bytes long.
Data: < 1ŸÃ³ > 10 31 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B3C39F2910, 16 bytes long.
Data: <ð´žÃ³ > F0 B4 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B3C39EB4F0, 40 bytes long.
Data: < )ŸÃ³ À·fų > 10 29 9F C3 B3 01 00 00 C0 B7 66 C5 B3 01 00 00
{255} normal block at 0x000001B3C39F2A50, 16 bytes long.
Data: <ð0ŸÃ³ > F0 30 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001B3C39F1F60, 16 bytes long.
Data: <È0ŸÃ³ > C8 30 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001B3C39EDC80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001B3C39F2460, 16 bytes long.
Data: < 0ŸÃ³ > A0 30 9F C3 B3 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001B3C39F30A0, 992 bytes long.
Data: <`$ŸÃ³ ܞó > 60 24 9F C3 B3 01 00 00 80 DC 9E C3 B3 01 00 00
{87} normal block at 0x000001B3C39EE160, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001B3C39E6750, 16 bytes long.
Data: < ±žÃ³ > 00 B1 9E C3 B3 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001B3C39EB100, 40 bytes long.
Data: <PgžÃ³ `ážÃ³ > 50 67 9E C3 B3 01 00 00 60 E1 9E C3 B3 01 00 00
{64} normal block at 0x000001B3C39E6CA0, 16 bytes long.
Data: < ê¾ó÷ > 80 EA BE F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B3C39E6660, 16 bytes long.
Data: <@é¾ó÷ > 40 E9 BE F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B3C39E65C0, 16 bytes long.
Data: <øW»ó÷ > F8 57 BB F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B3C39E6520, 16 bytes long.
Data: <ØW»ó÷ > D8 57 BB F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B3C39E6610, 16 bytes long.
Data: <P »ó÷ > 50 04 BB F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B3C39E64D0, 16 bytes long.
Data: <0 »ó÷ > 30 04 BB F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B3C39E6480, 16 bytes long.
Data: <à »ó÷ > E0 02 BB F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B3C39E63E0, 16 bytes long.
Data: < »ó÷ > 10 04 BB F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001B3C39E69D0, 16 bytes long.
Data: <p »ó÷ > 70 04 BB F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001B3C39E6340, 16 bytes long.
Data: < À¹ó÷ > 18 C0 B9 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra