Task 38617813
| Name | p38_2_A27_A18_r0_2-QUICO_ATM_GAFF2_NAGL_p38_2-0-6-RND0793_1 |
| Workunit | 31567864 |
| Created | 18 Apr 2026, 7:29:49 UTC |
| Sent | 18 Apr 2026, 7:29:54 UTC |
| Report deadline | 23 Apr 2026, 7:29:54 UTC |
| Received | 18 Apr 2026, 21:23:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618086 |
| Run time | 11 hours 8 min 3 sec |
| CPU time | 8 hours 48 min 36 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 11,340.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.84 MB |
| Peak swap size | 8.44 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
03:15:52 (13292): wrapper (7.9.26016): starting
03:15:52 (13292): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A18_0.pdb
QB_A27_A18_0.xml
QB_A27_A18.inpcrd
QB_A27_A18_input.yaml
QB_A27_A18.pdb
QB_A27_A18.prmtop
QB_A27_A18_sys.xml
run.bat
run.sh
03:15:53 (13292): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:15:53 (13292): 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
14:23:15 (13292): C:/Windows/system32/cmd.exe exited; CPU time 31716.859375
14:23:15 (13292): 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: 675872249 bytes.
Dumping objects ->
{3835460} normal block at 0x000001775E80C320, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835449} normal block at 0x000001775E80B910, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835438} normal block at 0x000001775E80BEC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835427} normal block at 0x000001775CA97860, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835416} normal block at 0x000001775CA977F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835385} normal block at 0x000001775E81A7A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835374} normal block at 0x000001775E832A90, 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) : {3835371} normal block at 0x000001775CA8E960, 8 bytes long.
Data: < £\w > 00 00 A3 5C 77 01 00 00
{3834656} normal block at 0x000001775E832250, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x000001775CA8F590, 8 bytes long.
Data: <Pär^w > 50 E4 72 5E 77 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001775CA92BB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001775CA87F50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001775CA97C20, 16 bytes long.
Data: <hŽ©\w > 68 8E A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001775CA97F90, 16 bytes long.
Data: <@Ž©\w > 40 8E A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001775CA913A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001775CA97EA0, 16 bytes long.
Data: < Ž©\w > 18 8E A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001775CA983A0, 16 bytes long.
Data: <ð ©\w > F0 8D A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001775CA97E50, 16 bytes long.
Data: <È ©\w > C8 8D A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001775CA98260, 16 bytes long.
Data: <  ©\w > A0 8D A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001775CA97320, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001775CA98710, 16 bytes long.
Data: <8º§\w > 38 BA A7 5C 77 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001775CA915E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001775CA98AD0, 16 bytes long.
Data: < º§\w > 10 BA A7 5C 77 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001775CA97CC0, 16 bytes long.
Data: <蹧\w > E8 B9 A7 5C 77 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001775CA98210, 16 bytes long.
Data: <À¹§\w > C0 B9 A7 5C 77 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001775CA98A30, 16 bytes long.
Data: < ¹§\w > 98 B9 A7 5C 77 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001775CA97E00, 16 bytes long.
Data: <p¹§\w > 70 B9 A7 5C 77 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001775CA98170, 16 bytes long.
Data: <H¹§\w > 48 B9 A7 5C 77 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001775CA90920, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001775CA98080, 16 bytes long.
Data: < ¹§\w > 20 B9 A7 5C 77 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001775CA7B920, 320 bytes long.
Data: < ©\w ©\w > 80 80 A9 5C 77 01 00 00 20 09 A9 5C 77 01 00 00
{279} normal block at 0x000001775CA986C0, 16 bytes long.
Data: < ©\w > 80 8D A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001775CA98580, 16 bytes long.
Data: <X ©\w > 58 8D A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001775CA90E00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001775CA97EF0, 16 bytes long.
Data: <0 ©\w > 30 8D A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001775CA910A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001775CA989E0, 16 bytes long.
Data: <xΩ\w > 78 8C A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001775CA97DB0, 16 bytes long.
Data: <PΩ\w > 50 8C A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001775CA98300, 16 bytes long.
Data: <(Ω\w > 28 8C A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001775CA98350, 16 bytes long.
Data: < Ω\w > 00 8C A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001775CA987B0, 16 bytes long.
Data: <Ø‹©\w > D8 8B A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001775CA98A80, 16 bytes long.
Data: <°‹©\w > B0 8B A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001775CA984E0, 16 bytes long.
Data: <0v©\w > 30 76 A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001775CA97630, 40 bytes long.
Data: <à„©\w  § ^w > E0 84 A9 5C 77 01 00 00 A0 A7 81 5E 77 01 00 00
{265} normal block at 0x000001775CA98670, 16 bytes long.
Data: < ‹©\w > 90 8B A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001775CA98990, 16 bytes long.
Data: <h‹©\w > 68 8B A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001775CA91280, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001775CA982B0, 16 bytes long.
Data: <@‹©\w > 40 8B A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001775CA98B40, 992 bytes long.
Data: <°‚©\w ©\w > B0 82 A9 5C 77 01 00 00 80 12 A9 5C 77 01 00 00
{97} normal block at 0x000001775CA90EC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001775CA8F090, 16 bytes long.
Data: <pt©\w > 70 74 A9 5C 77 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001775CA97470, 40 bytes long.
Data: < ð¨\w À ©\w > 90 F0 A8 5C 77 01 00 00 C0 0E A9 5C 77 01 00 00
{74} normal block at 0x000001775CA8EAF0, 16 bytes long.
Data: < êê ö > 80 EA EA 07 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001775CA8F8B0, 16 bytes long.
Data: <@éê ö > 40 E9 EA 07 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001775CA8EAA0, 16 bytes long.
Data: <øWç ö > F8 57 E7 07 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001775CA8EA50, 16 bytes long.
Data: <ØWç ö > D8 57 E7 07 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001775CA8F3B0, 16 bytes long.
Data: <P ç ö > 50 04 E7 07 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001775CA8F310, 16 bytes long.
Data: <0 ç ö > 30 04 E7 07 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001775CA8F770, 16 bytes long.
Data: <à ç ö > E0 02 E7 07 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001775CA8EA00, 16 bytes long.
Data: < ç ö > 10 04 E7 07 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001775CA8F180, 16 bytes long.
Data: <p ç ö > 70 04 E7 07 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001775CA8EE60, 16 bytes long.
Data: < Àå ö > 18 C0 E5 07 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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