Task 38600388
| Name | JNK1_A03_A07_r0_5-QUICO_ATM_GAFF2_NAGL_JNK1-1-6-RND6786_1 |
| Workunit | 31555115 |
| Created | 9 Apr 2026, 3:11:19 UTC |
| Sent | 9 Apr 2026, 3:11:26 UTC |
| Report deadline | 14 Apr 2026, 3:11:26 UTC |
| Received | 9 Apr 2026, 8:34:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646385 |
| Run time | 5 hours 17 min 45 sec |
| CPU time | 5 hours 8 min 14 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,472.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 696.09 MB |
| Peak swap size | 8.24 GB |
| Peak disk usage | 4.17 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:12:53 (37776): wrapper (7.9.26016): starting
23:12:53 (37776): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A07_0.pdb
QB_A03_A07_0.xml
QB_A03_A07.inpcrd
QB_A03_A07_input.yaml
QB_A03_A07.pdb
QB_A03_A07.prmtop
QB_A03_A07_sys.xml
run.bat
run.sh
23:12:54 (37776): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:12:54 (37776): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
04:32:09 (37776): C:/Windows/system32/cmd.exe exited; CPU time 18494.406250
04:32:09 (37776): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 405175593 bytes.
Dumping objects ->
{3835196} normal block at 0x000001CEB9C3BD40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x000001CEB9C3B330, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835174} normal block at 0x000001CEB9C3B3A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835163} normal block at 0x000001CEB9C3B1E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835152} normal block at 0x000001CEB9C3BCD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835121} normal block at 0x000001CEBBA27D90, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835108} normal block at 0x000001CEB9C0E0C0, 8 bytes long.
Data: < %ºÎ > 00 00 25 BA CE 01 00 00
{3833957} normal block at 0x000001CEB9C0E570, 8 bytes long.
Data: <Pj«»Î > 50 6A AB BB CE 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001CEB9C06550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CEB9C03900, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001CEB9C19030, 16 bytes long.
Data: <x=Á¹Î > 78 3D C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CEB9C18EF0, 16 bytes long.
Data: <P=Á¹Î > 50 3D C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CEB9C14DF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001CEB9C18D60, 16 bytes long.
Data: <(=Á¹Î > 28 3D C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CEB9C18400, 16 bytes long.
Data: < =Á¹Î > 00 3D C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CEB9C18EA0, 16 bytes long.
Data: <Ø<Á¹Î > D8 3C C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CEB9C18A40, 16 bytes long.
Data: <°<Á¹Î > B0 3C C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CEB9C12E70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001CEB9C187C0, 16 bytes long.
Data: <xNÀ¹Î > 78 4E C0 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CEB9C143D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001CEB9C18360, 16 bytes long.
Data: <PNÀ¹Î > 50 4E C0 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CEB9C18C70, 16 bytes long.
Data: <(NÀ¹Î > 28 4E C0 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CEB9C18630, 16 bytes long.
Data: < NÀ¹Î > 00 4E C0 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CEB9C18310, 16 bytes long.
Data: <ØMÀ¹Î > D8 4D C0 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CEB9C18E50, 16 bytes long.
Data: <°MÀ¹Î > B0 4D C0 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CEB9C185E0, 16 bytes long.
Data: < MÀ¹Î > 88 4D C0 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CEB9C14910, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001CEB9C18180, 16 bytes long.
Data: <`MÀ¹Î > 60 4D C0 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CEB9C04D60, 320 bytes long.
Data: < Á¹Î IÁ¹Î > 80 81 C1 B9 CE 01 00 00 10 49 C1 B9 CE 01 00 00
{274} normal block at 0x000001CEB9C18270, 16 bytes long.
Data: < <Á¹Î > 90 3C C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CEB9C18B30, 16 bytes long.
Data: <h<Á¹Î > 68 3C C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CEB9C14430, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001CEB9C18F90, 16 bytes long.
Data: <@<Á¹Î > 40 3C C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CEB9C14130, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001CEB9C189A0, 16 bytes long.
Data: < ;Á¹Î > 88 3B C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CEB9C18C20, 16 bytes long.
Data: <`;Á¹Î > 60 3B C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CEB9C18130, 16 bytes long.
Data: <8;Á¹Î > 38 3B C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CEB9C18220, 16 bytes long.
Data: < ;Á¹Î > 10 3B C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CEB9C18BD0, 16 bytes long.
Data: <è:Á¹Î > E8 3A C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CEB9C18770, 16 bytes long.
Data: <À:Á¹Î > C0 3A C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CEB9C183B0, 16 bytes long.
Data: <à.Á¹Î > E0 2E C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CEB9C12EE0, 40 bytes long.
Data: <°ƒÁ¹Î }¢»Î > B0 83 C1 B9 CE 01 00 00 90 7D A2 BB CE 01 00 00
{260} normal block at 0x000001CEB9C188B0, 16 bytes long.
Data: < :Á¹Î > A0 3A C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CEB9C18B80, 16 bytes long.
Data: <x:Á¹Î > 78 3A C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CEB9C14C10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001CEB9C18F40, 16 bytes long.
Data: <P:Á¹Î > 50 3A C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001CEB9C13A50, 992 bytes long.
Data: <@ Á¹Î LÁ¹Î > 40 8F C1 B9 CE 01 00 00 10 4C C1 B9 CE 01 00 00
{92} normal block at 0x000001CEB9C14D90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001CEB9C0DFD0, 16 bytes long.
Data: < -Á¹Î > 20 2D C1 B9 CE 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001CEB9C12D20, 40 bytes long.
Data: <ÐßÀ¹Î MÁ¹Î > D0 DF C0 B9 CE 01 00 00 90 4D C1 B9 CE 01 00 00
{69} normal block at 0x000001CEB9C0DDF0, 16 bytes long.
Data: < êªõ÷ > 80 EA AA F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CEB9C0E5C0, 16 bytes long.
Data: <@éªõ÷ > 40 E9 AA F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CEB9C0DDA0, 16 bytes long.
Data: <øW§õ÷ > F8 57 A7 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CEB9C0E020, 16 bytes long.
Data: <ØW§õ÷ > D8 57 A7 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CEB9C0DB20, 16 bytes long.
Data: <P §õ÷ > 50 04 A7 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CEB9C0DAD0, 16 bytes long.
Data: <0 §õ÷ > 30 04 A7 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CEB9C0E390, 16 bytes long.
Data: <à §õ÷ > E0 02 A7 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CEB9C0DC10, 16 bytes long.
Data: < §õ÷ > 10 04 A7 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CEB9C0DE90, 16 bytes long.
Data: <p §õ÷ > 70 04 A7 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CEB9C0DBC0, 16 bytes long.
Data: < À¥õ÷ > 18 C0 A5 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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