Task 38618618
| Name | p38_2_A14_A20_r0_1-QUICO_ATM_OpenFF_NAGL_p38_2-2-6-RND6261_2 |
| Workunit | 31569908 |
| Created | 18 Apr 2026, 14:15:54 UTC |
| Sent | 18 Apr 2026, 14:15:58 UTC |
| Report deadline | 23 Apr 2026, 14:15:58 UTC |
| Received | 20 Apr 2026, 15:02:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650089 |
| Run time | 6 hours 47 min 16 sec |
| CPU time | 6 hours 47 min 16 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,744.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 772.00 MB |
| Peak swap size | 24.96 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
00:09:27 (15488): wrapper (7.9.26016): starting
00:09:27 (15488): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A20_0.pdb
QB_A14_A20_0.xml
QB_A14_A20.inpcrd
QB_A14_A20_input.yaml
QB_A14_A20.pdb
QB_A14_A20.prmtop
QB_A14_A20_sys.xml
run.bat
run.sh
00:09:28 (15488): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:09:28 (15488): 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\1\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\1\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
06:43:24 (15488): C:/Windows/system32/cmd.exe exited; CPU time 24436.968750
06:43:24 (15488): 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: 290717152 bytes.
Dumping objects ->
{3835552} normal block at 0x000002D52B8464B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835541} normal block at 0x000002D52B846360, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835530} normal block at 0x000002D52B846830, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835519} normal block at 0x000002D52B8467C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x000002D52B846440, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835477} normal block at 0x000002D52D6E6A40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835466} normal block at 0x000002D52D6FCAE0, 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) : {3835463} normal block at 0x000002D52B83DC40, 8 bytes long.
Data: < |+Õ > 00 00 7C 2B D5 02 00 00
{3834681} normal block at 0x000002D52D6FC180, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x000002D52B83D380, 8 bytes long.
Data: <0Kw-Õ > 30 4B 77 2D D5 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002D52B831750, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D52B831E40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002D52B8458D0, 16 bytes long.
Data: <¨a„+Õ > A8 61 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D52B8456F0, 16 bytes long.
Data: < a„+Õ > 80 61 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D52B840E50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002D52B8456A0, 16 bytes long.
Data: <Xa„+Õ > 58 61 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D52B844C00, 16 bytes long.
Data: <0a„+Õ > 30 61 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D52B845600, 16 bytes long.
Data: < a„+Õ > 08 61 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D52B844F70, 16 bytes long.
Data: <à`„+Õ > E0 60 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D52B846980, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002D52B8455B0, 16 bytes long.
Data: <X¶‚+Õ > 58 B6 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D52B840DF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002D52B845970, 16 bytes long.
Data: <0¶‚+Õ > 30 B6 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D52B845560, 16 bytes long.
Data: < ¶‚+Õ > 08 B6 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D52B844CF0, 16 bytes long.
Data: <ൂ+Õ > E0 B5 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D52B845100, 16 bytes long.
Data: <¸µ‚+Õ > B8 B5 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002D52B845060, 16 bytes long.
Data: < µ‚+Õ > 90 B5 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D52B845330, 16 bytes long.
Data: <hµ‚+Õ > 68 B5 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002D52B840C10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002D52B844D40, 16 bytes long.
Data: <@µ‚+Õ > 40 B5 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D52B82B540, 320 bytes long.
Data: <@M„+Õ „+Õ > 40 4D 84 2B D5 02 00 00 10 0C 84 2B D5 02 00 00
{271} normal block at 0x000002D52B845880, 16 bytes long.
Data: <À`„+Õ > C0 60 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D52B845650, 16 bytes long.
Data: < `„+Õ > 98 60 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D52B840AF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002D52B8454C0, 16 bytes long.
Data: <p`„+Õ > 70 60 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D52B841030, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002D52B845830, 16 bytes long.
Data: <¸_„+Õ > B8 5F 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D52B844ED0, 16 bytes long.
Data: < _„+Õ > 90 5F 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002D52B8452E0, 16 bytes long.
Data: <h_„+Õ > 68 5F 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D52B8451A0, 16 bytes long.
Data: <@_„+Õ > 40 5F 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D52B845010, 16 bytes long.
Data: < _„+Õ > 18 5F 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002D52B845290, 16 bytes long.
Data: <ð^„+Õ > F0 5E 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002D52B845470, 16 bytes long.
Data: < ë‚+Õ > 10 EB 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002D52B82EB10, 40 bytes long.
Data: <pT„+Õ @jn-Õ > 70 54 84 2B D5 02 00 00 40 6A 6E 2D D5 02 00 00
{257} normal block at 0x000002D52B845790, 16 bytes long.
Data: <Ð^„+Õ > D0 5E 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002D52B845380, 16 bytes long.
Data: <¨^„+Õ > A8 5E 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002D52B841150, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002D52B845510, 16 bytes long.
Data: < ^„+Õ > 80 5E 84 2B D5 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002D52B845E80, 992 bytes long.
Data: < U„+Õ P „+Õ > 10 55 84 2B D5 02 00 00 50 11 84 2B D5 02 00 00
{89} normal block at 0x000002D52B841690, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002D52B83DDD0, 16 bytes long.
Data: <`Ò‚+Õ > 60 D2 82 2B D5 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002D52B82D260, 40 bytes long.
Data: <Ð݃+Õ „+Õ > D0 DD 83 2B D5 02 00 00 90 16 84 2B D5 02 00 00
{66} normal block at 0x000002D52B83D560, 16 bytes long.
Data: < êr¯÷ > 80 EA 72 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D52B83D650, 16 bytes long.
Data: <@ér¯÷ > 40 E9 72 AF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D52B83DF10, 16 bytes long.
Data: <øWo¯÷ > F8 57 6F AF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002D52B83D510, 16 bytes long.
Data: <ØWo¯÷ > D8 57 6F AF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002D52B83DCE0, 16 bytes long.
Data: <P o¯÷ > 50 04 6F AF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002D52B83DB50, 16 bytes long.
Data: <0 o¯÷ > 30 04 6F AF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002D52B83D7E0, 16 bytes long.
Data: <à o¯÷ > E0 02 6F AF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002D52B83D790, 16 bytes long.
Data: < o¯÷ > 10 04 6F AF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002D52B83DC90, 16 bytes long.
Data: <p o¯÷ > 70 04 6F AF F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002D52B83D6F0, 16 bytes long.
Data: < Àm¯÷ > 18 C0 6D AF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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