Task 38583966
| Name | HIF2A_A21_A07_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND8883_0 |
| Workunit | 31547947 |
| Created | 15 Dec 2025, 0:36:47 UTC |
| Sent | 15 Dec 2025, 0:36:53 UTC |
| Report deadline | 20 Dec 2025, 0:36:53 UTC |
| Received | 17 Dec 2025, 16:54:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647027 |
| Run time | 5 hours 47 min 39 sec |
| CPU time | 5 hours 45 min 50 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 6,807.01 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 466.78 MB |
| Peak swap size | 12.49 GB |
| Peak disk usage | 3.56 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:46:47 (4836): wrapper (7.9.26016): starting
07:46:47 (4836): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A07_0.pdb
QB_A21_A07_0.xml
QB_A21_A07_equil.pdb
QB_A21_A07.inpcrd
QB_A21_A07_input.yaml
QB_A21_A07_mdlambda.pdb
QB_A21_A07_min.pdb
QB_A21_A07_npt.pdb
QB_A21_A07.pdb
QB_A21_A07.prmtop
QB_A21_A07_sys.xml
QB_A21_A07_therm.pdb
run.bat
run.sh
07:46:49 (4836): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:46:49 (4836): 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\24\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\24\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
13:31:18 (4836): C:/Windows/system32/cmd.exe exited; CPU time 20750.015625
13:31:18 (4836): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 325575945 bytes.
Dumping objects ->
{3835224} normal block at 0x000001D6924D12C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x000001D6924D0AE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x000001D6924D14F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835191} normal block at 0x000001D6924D15D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001D6924D1330, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835149} normal block at 0x000001D6925C22F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835138} normal block at 0x000001D692620670, 120 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) : {3835135} normal block at 0x000001D690806550, 8 bytes long.
Data: < 0’Ö > 00 00 30 92 D6 01 00 00
{3834536} normal block at 0x000001D6926208B0, 120 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x000001D6908065A0, 8 bytes long.
Data: <p b’Ö > 70 0F 62 92 D6 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001D690811130, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D69080C400, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001D690812990, 16 bytes long.
Data: <(6 Ö > 28 36 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D690812940, 16 bytes long.
Data: < 6 Ö > 00 36 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D69080C9E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001D690811FE0, 16 bytes long.
Data: <Ø5 Ö > D8 35 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D6908123A0, 16 bytes long.
Data: <°5 Ö > B0 35 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D690812A30, 16 bytes long.
Data: < 5 Ö > 88 35 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D690812350, 16 bytes long.
Data: <`5 Ö > 60 35 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D69080B5B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001D690811F90, 16 bytes long.
Data: <Ø[ Ö > D8 5B 7F 90 D6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D69080CA40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001D690812300, 16 bytes long.
Data: <°[ Ö > B0 5B 7F 90 D6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D690812080, 16 bytes long.
Data: < [ Ö > 88 5B 7F 90 D6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D6908124E0, 16 bytes long.
Data: <`[ Ö > 60 5B 7F 90 D6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D690812E90, 16 bytes long.
Data: <8[ Ö > 38 5B 7F 90 D6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D690811F40, 16 bytes long.
Data: < [ Ö > 10 5B 7F 90 D6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D6908128F0, 16 bytes long.
Data: <èZ Ö > E8 5A 7F 90 D6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D69080CF80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001D690812D50, 16 bytes long.
Data: <ÀZ Ö > C0 5A 7F 90 D6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D6907F5AC0, 320 bytes long.
Data: <P- Ö Ï Ö > 50 2D 81 90 D6 01 00 00 80 CF 80 90 D6 01 00 00
{270} normal block at 0x000001D6908128A0, 16 bytes long.
Data: <@5 Ö > 40 35 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D6908122B0, 16 bytes long.
Data: < 5 Ö > 18 35 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D69080C560, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001D690812440, 16 bytes long.
Data: <ð4 Ö > F0 34 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D69080D100, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001D6908121C0, 16 bytes long.
Data: <84 Ö > 38 34 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D690812490, 16 bytes long.
Data: < 4 Ö > 10 34 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D690812B20, 16 bytes long.
Data: <è3 Ö > E8 33 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D6908125D0, 16 bytes long.
Data: <À3 Ö > C0 33 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D6908127B0, 16 bytes long.
Data: < 3 Ö > 98 33 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D690812760, 16 bytes long.
Data: <p3 Ö > 70 33 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D690812710, 16 bytes long.
Data: <à° Ö > E0 B0 80 90 D6 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D69080B0E0, 40 bytes long.
Data: < ' Ö ð"\’Ö > 10 27 81 90 D6 01 00 00 F0 22 5C 92 D6 01 00 00
{256} normal block at 0x000001D690812170, 16 bytes long.
Data: <P3 Ö > 50 33 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001D690812BC0, 16 bytes long.
Data: <(3 Ö > 28 33 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001D69080C920, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001D690812120, 16 bytes long.
Data: < 3 Ö > 00 33 81 90 D6 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001D690813300, 992 bytes long.
Data: < ! Ö É Ö > 20 21 81 90 D6 01 00 00 20 C9 80 90 D6 01 00 00
{88} normal block at 0x000001D69080D400, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001D690807090, 16 bytes long.
Data: <P± Ö > 50 B1 80 90 D6 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001D69080B150, 40 bytes long.
Data: < p Ö Ô Ö > 90 70 80 90 D6 01 00 00 00 D4 80 90 D6 01 00 00
{65} normal block at 0x000001D6908064B0, 16 bytes long.
Data: < ê¿É÷ > 80 EA BF C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D690806460, 16 bytes long.
Data: <@é¿É÷ > 40 E9 BF C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D690806EB0, 16 bytes long.
Data: <øW¼É÷ > F8 57 BC C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D690806410, 16 bytes long.
Data: <ØW¼É÷ > D8 57 BC C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D690806A50, 16 bytes long.
Data: <P ¼É÷ > 50 04 BC C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D690806870, 16 bytes long.
Data: <0 ¼É÷ > 30 04 BC C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D690806FF0, 16 bytes long.
Data: <à ¼É÷ > E0 02 BC C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001D690806820, 16 bytes long.
Data: < ¼É÷ > 10 04 BC C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D6908067D0, 16 bytes long.
Data: <p ¼É÷ > 70 04 BC C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001D690807310, 16 bytes long.
Data: < ÀºÉ÷ > 18 C0 BA C9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra