Task 38582070
| Name | HIF2A_A14_A20_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND9131_0 |
| Workunit | 31546439 |
| Created | 12 Dec 2025, 20:17:06 UTC |
| Sent | 12 Dec 2025, 20:17:15 UTC |
| Report deadline | 17 Dec 2025, 20:17:15 UTC |
| Received | 13 Dec 2025, 1:46:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 585156 |
| Run time | 5 hours 25 min 39 sec |
| CPU time | 5 hours 22 min 28 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 43,947.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 487.12 MB |
| Peak swap size | 6.62 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:20:28 (10568): wrapper (7.9.26016): starting
21:20:28 (10568): 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
21:20:30 (10568): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:20:30 (10568): 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
02:45:00 (10568): C:/Windows/system32/cmd.exe exited; CPU time 19348.656250
02:45:00 (10568): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 417957514 bytes.
Dumping objects ->
{3835239} normal block at 0x0000015EB4D3E100, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x0000015EB4D3D7D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x0000015EB4D3DAE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835206} normal block at 0x0000015EB4D3E090, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835195} normal block at 0x0000015EB324E8E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835164} normal block at 0x0000015EB4D85740, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835153} normal block at 0x0000015EB4D9CF80, 85 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) : {3835150} normal block at 0x0000015EB3248240, 8 bytes long.
Data: < "³^ > 00 00 22 B3 5E 01 00 00
{3834544} normal block at 0x0000015EB4D9E240, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000015EB3248790, 8 bytes long.
Data: <à?Þ´^ > E0 3F DE B4 5E 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000015EB3254F00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000015EB323E740, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000015EB32563A0, 16 bytes long.
Data: <8q%³^ > 38 71 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000015EB3256350, 16 bytes long.
Data: < q%³^ > 10 71 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000015EB324D260, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000015EB3256300, 16 bytes long.
Data: <èp%³^ > E8 70 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000015EB3256260, 16 bytes long.
Data: <Àp%³^ > C0 70 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000015EB3256210, 16 bytes long.
Data: < p%³^ > 98 70 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015EB32561C0, 16 bytes long.
Data: <pp%³^ > 70 70 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015EB324E870, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000015EB32567B0, 16 bytes long.
Data: < ¸#³^ > 08 B8 23 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015EB324D7A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000015EB3256170, 16 bytes long.
Data: <à·#³^ > E0 B7 23 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015EB3256800, 16 bytes long.
Data: <¸·#³^ > B8 B7 23 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015EB3256080, 16 bytes long.
Data: < ·#³^ > 90 B7 23 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015EB3256C10, 16 bytes long.
Data: <h·#³^ > 68 B7 23 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015EB3256120, 16 bytes long.
Data: <@·#³^ > 40 B7 23 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015EB3255F40, 16 bytes long.
Data: < ·#³^ > 18 B7 23 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000015EB324D0E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000015EB3256710, 16 bytes long.
Data: <ð¶#³^ > F0 B6 23 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015EB323B6F0, 320 bytes long.
Data: < g%³^ àÐ$³^ > 10 67 25 B3 5E 01 00 00 E0 D0 24 B3 5E 01 00 00
{276} normal block at 0x0000015EB3255EF0, 16 bytes long.
Data: <Pp%³^ > 50 70 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015EB3256A80, 16 bytes long.
Data: <(p%³^ > 28 70 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000015EB324D680, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000015EB32560D0, 16 bytes long.
Data: < p%³^ > 00 70 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015EB324D4A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000015EB3255EA0, 16 bytes long.
Data: <Ho%³^ > 48 6F 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015EB3256940, 16 bytes long.
Data: < o%³^ > 20 6F 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015EB3256AD0, 16 bytes long.
Data: <øn%³^ > F8 6E 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015EB32565D0, 16 bytes long.
Data: <Ðn%³^ > D0 6E 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015EB3256BC0, 16 bytes long.
Data: <¨n%³^ > A8 6E 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015EB32568A0, 16 bytes long.
Data: < n%³^ > 80 6E 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015EB3255E50, 16 bytes long.
Data: < ê$³^ > A0 EA 24 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015EB324EAA0, 40 bytes long.
Data: <P^%³^ @WØ´^ > 50 5E 25 B3 5E 01 00 00 40 57 D8 B4 5E 01 00 00
{262} normal block at 0x0000015EB32566C0, 16 bytes long.
Data: <`n%³^ > 60 6E 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015EB3256D50, 16 bytes long.
Data: <8n%³^ > 38 6E 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000015EB324D380, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000015EB3256B20, 16 bytes long.
Data: < n%³^ > 10 6E 25 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000015EB3256E10, 992 bytes long.
Data: < k%³^ Ó$³^ > 20 6B 25 B3 5E 01 00 00 80 D3 24 B3 5E 01 00 00
{94} normal block at 0x0000015EB324D620, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000015EB3248A10, 16 bytes long.
Data: <ðë$³^ > F0 EB 24 B3 5E 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000015EB324EBF0, 40 bytes long.
Data: < Š$³^ Ö$³^ > 10 8A 24 B3 5E 01 00 00 20 D6 24 B3 5E 01 00 00
{71} normal block at 0x0000015EB3247E30, 16 bytes long.
Data: < 꾧ö > 80 EA BE A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000015EB32483D0, 16 bytes long.
Data: <@龧ö > 40 E9 BE A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015EB3248060, 16 bytes long.
Data: <øW»§ö > F8 57 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015EB32481F0, 16 bytes long.
Data: <ØW»§ö > D8 57 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015EB3247CA0, 16 bytes long.
Data: <P »§ö > 50 04 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015EB3247D90, 16 bytes long.
Data: <0 »§ö > 30 04 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015EB32488D0, 16 bytes long.
Data: <à »§ö > E0 02 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015EB3247DE0, 16 bytes long.
Data: < »§ö > 10 04 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015EB3247C50, 16 bytes long.
Data: <p »§ö > 70 04 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000015EB32489C0, 16 bytes long.
Data: < À¹§ö > 18 C0 B9 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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