Task 38629781
| Name | JNK1_RE_A18_A14_r0_1-QUICO_ATM_GAFF2_NAGL_JNK1_RE-2-6-RND8677_0 |
| Workunit | 31579194 |
| Created | 25 Apr 2026, 7:34:46 UTC |
| Sent | 25 Apr 2026, 7:34:56 UTC |
| Report deadline | 30 Apr 2026, 7:34:56 UTC |
| Received | 25 Apr 2026, 10:32:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629717 |
| Run time | 2 hours 56 min 30 sec |
| CPU time | 2 hours 46 min 21 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 28,392.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 747.02 MB |
| Peak swap size | 13.06 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
02:36:02 (158140): wrapper (7.9.26016): starting
02:36:02 (158140): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A14_0.pdb
QB_A18_A14_0.xml
QB_A18_A14.inpcrd
QB_A18_A14_input.yaml
QB_A18_A14.pdb
QB_A18_A14.prmtop
QB_A18_A14_sys.xml
run.bat
run.sh
02:36:03 (158140): Library/usr/bin/tar.exe exited; CPU time 0.062500
02:36:03 (158140): 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
05:31:34 (158140): C:/Windows/system32/cmd.exe exited; CPU time 9981.750000
05:31:34 (158140): 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: 265065361 bytes.
Dumping objects ->
{3835311} normal block at 0x00000202896638B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835300} normal block at 0x0000020289663A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835289} normal block at 0x0000020289663450, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835278} normal block at 0x00000202896634C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x0000020289663220, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835236} normal block at 0x00000202895BDB00, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x000002028961E870, 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) : {3835222} normal block at 0x00000202878DDD70, 8 bytes long.
Data: < ‰‡ > 00 00 89 87 02 02 00 00
{3834575} normal block at 0x000002028961F370, 102 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 0x00000202878DD870, 8 bytes long.
Data: <0ÜŒ‡ > 30 DC 8C 87 02 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000202878D0CD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000202878D29C0, 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 0x00000202878E6460, 16 bytes long.
Data: <xjŽ‡ > 78 6A 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000202878E5FB0, 16 bytes long.
Data: <PjŽ‡ > 50 6A 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000202878DFA40, 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 0x00000202878E5830, 16 bytes long.
Data: <(jŽ‡ > 28 6A 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000202878E6550, 16 bytes long.
Data: < jŽ‡ > 00 6A 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000202878E5BF0, 16 bytes long.
Data: <ØiŽ‡ > D8 69 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000202878E5E20, 16 bytes long.
Data: <°iŽ‡ > B0 69 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000202878E4080, 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 0x00000202878E5DD0, 16 bytes long.
Data: <ØþŒ‡ > D8 FE 8C 87 02 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000202878DFC80, 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 0x00000202878E63C0, 16 bytes long.
Data: <°þŒ‡ > B0 FE 8C 87 02 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000202878E6370, 16 bytes long.
Data: < þŒ‡ > 88 FE 8C 87 02 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000202878E5AB0, 16 bytes long.
Data: <`þŒ‡ > 60 FE 8C 87 02 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000202878E65F0, 16 bytes long.
Data: <8þŒ‡ > 38 FE 8C 87 02 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000202878E6640, 16 bytes long.
Data: < þŒ‡ > 10 FE 8C 87 02 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000202878E60F0, 16 bytes long.
Data: <èýŒ‡ > E8 FD 8C 87 02 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000202878DFE60, 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 0x00000202878E5E70, 16 bytes long.
Data: <ÀýŒ‡ > C0 FD 8C 87 02 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000202878CFDC0, 320 bytes long.
Data: <p^Ž‡ `þ ‡ > 70 5E 8E 87 02 02 00 00 60 FE 8D 87 02 02 00 00
{276} normal block at 0x00000202878E6410, 16 bytes long.
Data: < iŽ‡ > 90 69 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000202878E5B50, 16 bytes long.
Data: <hiŽ‡ > 68 69 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000202878E05E0, 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 0x00000202878E5A60, 16 bytes long.
Data: <@iŽ‡ > 40 69 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000202878E0460, 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 0x00000202878E6500, 16 bytes long.
Data: < hŽ‡ > 88 68 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000202878E60A0, 16 bytes long.
Data: <`hŽ‡ > 60 68 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000202878E6050, 16 bytes long.
Data: <8hŽ‡ > 38 68 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000202878E6140, 16 bytes long.
Data: < hŽ‡ > 10 68 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000202878E5BA0, 16 bytes long.
Data: <ègŽ‡ > E8 67 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000202878E5880, 16 bytes long.
Data: <ÀgŽ‡ > C0 67 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000202878E6280, 16 bytes long.
Data: <ð@Ž‡ > F0 40 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000202878E40F0, 40 bytes long.
Data: < bŽ‡ Û[‰ > 80 62 8E 87 02 02 00 00 00 DB 5B 89 02 02 00 00
{262} normal block at 0x00000202878E5D80, 16 bytes long.
Data: < gŽ‡ > A0 67 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000202878E5B00, 16 bytes long.
Data: <xgŽ‡ > 78 67 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000202878DFF20, 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 0x00000202878E6320, 16 bytes long.
Data: <PgŽ‡ > 50 67 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000202878E6750, 992 bytes long.
Data: < cŽ‡ ÿ ‡ > 20 63 8E 87 02 02 00 00 20 FF 8D 87 02 02 00 00
{94} normal block at 0x00000202878DFB00, 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 0x00000202878DE310, 16 bytes long.
Data: < <Ž‡ > 20 3C 8E 87 02 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000202878E3C20, 40 bytes long.
Data: < ã ‡ û ‡ > 10 E3 8D 87 02 02 00 00 00 FB 8D 87 02 02 00 00
{71} normal block at 0x00000202878DE040, 16 bytes long.
Data: < êVóö > 80 EA 56 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000202878DDEB0, 16 bytes long.
Data: <@éVóö > 40 E9 56 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000202878DDA00, 16 bytes long.
Data: <øWSóö > F8 57 53 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000202878DDC80, 16 bytes long.
Data: <ØWSóö > D8 57 53 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000202878DD4B0, 16 bytes long.
Data: <P Sóö > 50 04 53 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000202878DDFA0, 16 bytes long.
Data: <0 Sóö > 30 04 53 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000202878DDF50, 16 bytes long.
Data: <à Sóö > E0 02 53 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000202878DD9B0, 16 bytes long.
Data: < Sóö > 10 04 53 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000202878DDD20, 16 bytes long.
Data: <p Sóö > 70 04 53 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000202878DDAA0, 16 bytes long.
Data: < ÀQóö > 18 C0 51 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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