Task 38627098
| Name | JNK1_RE_A10_A07_r0_1-QUICO_ATM_GAFF2_NAGL_JNK1_RE-0-6-RND2159_1 |
| Workunit | 31576953 |
| Created | 24 Apr 2026, 10:50:22 UTC |
| Sent | 24 Apr 2026, 10:51:37 UTC |
| Report deadline | 29 Apr 2026, 10:51:37 UTC |
| Received | 25 Apr 2026, 12:51:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 583368 |
| Run time | 6 hours 39 min 21 sec |
| CPU time | 6 hours 39 min 21 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,958.64 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 690.36 MB |
| Peak swap size | 9.84 GB |
| Peak disk usage | 3.91 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:17:14 (43992): wrapper (7.9.26016): starting
08:17:14 (43992): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A07_0.pdb
QB_A10_A07_0.xml
QB_A10_A07.inpcrd
QB_A10_A07_input.yaml
QB_A10_A07.pdb
QB_A10_A07.prmtop
QB_A10_A07_sys.xml
run.bat
run.sh
08:17:16 (43992): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:17:16 (43992): 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 'D:\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 'D:\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
14:50:53 (43992): C:/Windows/system32/cmd.exe exited; CPU time 23961.890625
14:50:53 (43992): 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: 398164553 bytes.
Dumping objects ->
{3835297} normal block at 0x0000024DE515EE80, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835286} normal block at 0x0000024DE515EF60, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x0000024DE515F120, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835264} normal block at 0x0000024DE3492610, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835253} normal block at 0x0000024DE34923E0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835222} normal block at 0x0000024DE51A6590, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x0000024DE51C0950, 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) : {3835208} normal block at 0x0000024DE348F650, 8 bytes long.
Data: < @ãM > 00 00 40 E3 4D 02 00 00
{3834567} normal block at 0x0000024DE51C10E0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x0000024DE348F8D0, 8 bytes long.
Data: < ×GãM > 10 D7 47 E3 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024DE3481B60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024DE3483360, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000024DE34976F0, 16 bytes long.
Data: <(…IãM > 28 85 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024DE3497C90, 16 bytes long.
Data: < …IãM > 00 85 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024DE3493500, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000024DE3497650, 16 bytes long.
Data: <Ø„IãM > D8 84 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024DE3497970, 16 bytes long.
Data: <°„IãM > B0 84 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024DE3497AB0, 16 bytes long.
Data: < „IãM > 88 84 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024DE3497920, 16 bytes long.
Data: <`„IãM > 60 84 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024DE34927D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000024DE3497880, 16 bytes long.
Data: <( HãM > 28 15 48 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024DE3493440, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000024DE3498190, 16 bytes long.
Data: < HãM > 00 15 48 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024DE34975B0, 16 bytes long.
Data: <Ø HãM > D8 14 48 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024DE3497830, 16 bytes long.
Data: <° HãM > B0 14 48 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024DE34978D0, 16 bytes long.
Data: < HãM > 88 14 48 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024DE3497E70, 16 bytes long.
Data: <` HãM > 60 14 48 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024DE34977E0, 16 bytes long.
Data: <8 HãM > 38 14 48 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024DE3492FC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000024DE3497C40, 16 bytes long.
Data: < HãM > 10 14 48 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024DE3481410, 320 bytes long.
Data: <@|IãM À/IãM > 40 7C 49 E3 4D 02 00 00 C0 2F 49 E3 4D 02 00 00
{275} normal block at 0x0000024DE3497600, 16 bytes long.
Data: <@„IãM > 40 84 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024DE34980A0, 16 bytes long.
Data: < „IãM > 18 84 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024DE3492E40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000024DE3497560, 16 bytes long.
Data: <ðƒIãM > F0 83 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024DE3493380, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000024DE3497470, 16 bytes long.
Data: <8ƒIãM > 38 83 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024DE3497E20, 16 bytes long.
Data: < ƒIãM > 10 83 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024DE3497A10, 16 bytes long.
Data: <è‚IãM > E8 82 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024DE34973D0, 16 bytes long.
Data: <À‚IãM > C0 82 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024DE34980F0, 16 bytes long.
Data: < ‚IãM > 98 82 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024DE3497330, 16 bytes long.
Data: <p‚IãM > 70 82 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024DE3497290, 16 bytes long.
Data: < )IãM > 20 29 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024DE3492920, 40 bytes long.
Data: < rIãM e åM > 90 72 49 E3 4D 02 00 00 90 65 1A E5 4D 02 00 00
{261} normal block at 0x0000024DE3497790, 16 bytes long.
Data: <P‚IãM > 50 82 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024DE3497CE0, 16 bytes long.
Data: <(‚IãM > 28 82 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024DE3493AA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000024DE3497BA0, 16 bytes long.
Data: < ‚IãM > 00 82 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024DE3498200, 992 bytes long.
Data: < {IãM  :IãM > A0 7B 49 E3 4D 02 00 00 A0 3A 49 E3 4D 02 00 00
{93} normal block at 0x0000024DE34938C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000024DE348FA60, 16 bytes long.
Data: <°(IãM > B0 28 49 E3 4D 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000024DE34928B0, 40 bytes long.
Data: <`úHãM À8IãM > 60 FA 48 E3 4D 02 00 00 C0 38 49 E3 4D 02 00 00
{70} normal block at 0x0000024DE348F600, 16 bytes long.
Data: < êD­ö > 80 EA 44 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024DE348F420, 16 bytes long.
Data: <@éD­ö > 40 E9 44 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024DE348FBA0, 16 bytes long.
Data: <øWA­ö > F8 57 41 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024DE348EF70, 16 bytes long.
Data: <ØWA­ö > D8 57 41 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024DE348FB50, 16 bytes long.
Data: <P A­ö > 50 04 41 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024DE348FA10, 16 bytes long.
Data: <0 A­ö > 30 04 41 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024DE348EF20, 16 bytes long.
Data: <à A­ö > E0 02 41 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024DE348F830, 16 bytes long.
Data: < A­ö > 10 04 41 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024DE348F9C0, 16 bytes long.
Data: <p A­ö > 70 04 41 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024DE348EDE0, 16 bytes long.
Data: < À?­ö > 18 C0 3F AD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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