Task 38644828
| Name | p38_3_A04_A08_r0_4-QUICO_ATM_OpenFF_NAGL_p38_3-5-6-RND4450_1 |
| Workunit | 31590120 |
| Created | 9 May 2026, 22:15:59 UTC |
| Sent | 9 May 2026, 22:16:00 UTC |
| Report deadline | 14 May 2026, 22:16:00 UTC |
| Received | 10 May 2026, 2:32:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613630 |
| Run time | 3 hours 45 min 53 sec |
| CPU time | 3 hours 19 min 26 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 53,036.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.91 MB |
| Peak swap size | 7.26 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:46:34 (9096): wrapper (7.9.26016): starting
15:46:34 (9096): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A08_0.pdb
QB_A04_A08_0.xml
QB_A04_A08.inpcrd
QB_A04_A08_input.yaml
QB_A04_A08.pdb
QB_A04_A08.prmtop
QB_A04_A08_sys.xml
run.bat
run.sh
15:46:36 (9096): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:46:36 (9096): 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\0\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\0\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
19:31:34 (9096): C:/Windows/system32/cmd.exe exited; CPU time 11966.203125
19:31:34 (9096): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 175304479 bytes.
Dumping objects ->
{3835649} normal block at 0x000002252B599180, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835638} normal block at 0x000002252B598C40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835627} normal block at 0x000002252B598E00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835616} normal block at 0x000002252B598E70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835605} normal block at 0x00000225298E62F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835574} normal block at 0x000002252B53A760, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835563} normal block at 0x000002252990E910, 155 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) : {3835560} normal block at 0x00000225298DEE10, 8 bytes long.
Data: < Õ)% > 00 00 D5 29 25 02 00 00
{3834734} normal block at 0x000002252990EC90, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x00000225298DFB30, 8 bytes long.
Data: < š\+% > 10 9A 5C 2B 25 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000225298DCE00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000225298D5DA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000225298EB400, 16 bytes long.
Data: <(¹Ž)% > 28 B9 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000225298EB270, 16 bytes long.
Data: < ¹Ž)% > 00 B9 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000225298E5580, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000225298EA6E0, 16 bytes long.
Data: <ظŽ)% > D8 B8 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000225298EA690, 16 bytes long.
Data: <°¸Ž)% > B0 B8 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000225298EB220, 16 bytes long.
Data: < ¸Ž)% > 88 B8 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000225298EB090, 16 bytes long.
Data: <`¸Ž)% > 60 B8 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000225298E6130, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000225298EAB90, 16 bytes long.
Data: < ëŒ)% > 88 EB 8C 29 25 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000225298E4980, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000225298EB1D0, 16 bytes long.
Data: <`ëŒ)% > 60 EB 8C 29 25 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000225298EAFA0, 16 bytes long.
Data: <8ëŒ)% > 38 EB 8C 29 25 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000225298EB180, 16 bytes long.
Data: < ëŒ)% > 10 EB 8C 29 25 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000225298EB0E0, 16 bytes long.
Data: <èêŒ)% > E8 EA 8C 29 25 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000225298EA870, 16 bytes long.
Data: <ÀêŒ)% > C0 EA 8C 29 25 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000225298EAB40, 16 bytes long.
Data: < êŒ)% > 98 EA 8C 29 25 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000225298E4E00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000225298EB2C0, 16 bytes long.
Data: <pêŒ)% > 70 EA 8C 29 25 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000225298CEA70, 320 bytes long.
Data: <À²Ž)% NŽ)% > C0 B2 8E 29 25 02 00 00 00 4E 8E 29 25 02 00 00
{277} normal block at 0x00000225298EB130, 16 bytes long.
Data: <@¸Ž)% > 40 B8 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000225298EAF50, 16 bytes long.
Data: < ¸Ž)% > 18 B8 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000225298E4860, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000225298EA960, 16 bytes long.
Data: <ð·Ž)% > F0 B7 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000225298E4EC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000225298EB310, 16 bytes long.
Data: <8·Ž)% > 38 B7 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000225298EAF00, 16 bytes long.
Data: < ·Ž)% > 10 B7 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000225298EB3B0, 16 bytes long.
Data: <趎)% > E8 B6 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000225298EB360, 16 bytes long.
Data: <À¶Ž)% > C0 B6 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000225298EAE60, 16 bytes long.
Data: < ¶Ž)% > 98 B6 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000225298EAE10, 16 bytes long.
Data: <p¶Ž)% > 70 B6 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000225298EAD20, 16 bytes long.
Data: <ÐcŽ)% > D0 63 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000225298E63D0, 40 bytes long.
Data: < ­Ž)% `§S+% > 20 AD 8E 29 25 02 00 00 60 A7 53 2B 25 02 00 00
{263} normal block at 0x00000225298EACD0, 16 bytes long.
Data: <P¶Ž)% > 50 B6 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000225298EA730, 16 bytes long.
Data: <(¶Ž)% > 28 B6 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000225298E47A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000225298EA640, 16 bytes long.
Data: < ¶Ž)% > 00 B6 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000225298EB600, 992 bytes long.
Data: <@¦Ž)%  GŽ)% > 40 A6 8E 29 25 02 00 00 A0 47 8E 29 25 02 00 00
{95} normal block at 0x00000225298E4BC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000225298DEF00, 16 bytes long.
Data: <@dŽ)% > 40 64 8E 29 25 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000225298E6440, 40 bytes long.
Data: < ï )% ÀKŽ)% > 00 EF 8D 29 25 02 00 00 C0 4B 8E 29 25 02 00 00
{72} normal block at 0x00000225298DF310, 16 bytes long.
Data: < ê);÷ > 80 EA 29 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000225298DF180, 16 bytes long.
Data: <@é);÷ > 40 E9 29 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000225298DF860, 16 bytes long.
Data: <øW&;÷ > F8 57 26 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000225298DF770, 16 bytes long.
Data: <ØW&;÷ > D8 57 26 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000225298DF4F0, 16 bytes long.
Data: <P &;÷ > 50 04 26 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000225298DEFA0, 16 bytes long.
Data: <0 &;÷ > 30 04 26 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000225298DFBD0, 16 bytes long.
Data: <à &;÷ > E0 02 26 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000225298DF2C0, 16 bytes long.
Data: < &;÷ > 10 04 26 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000225298DF540, 16 bytes long.
Data: <p &;÷ > 70 04 26 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000225298DEDC0, 16 bytes long.
Data: < À$;÷ > 18 C0 24 3B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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