Task 38582000
| Name | JNK1_A20_A30_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-1-5-RND3762_0 |
| Workunit | 31546375 |
| Created | 12 Dec 2025, 18:57:31 UTC |
| Sent | 12 Dec 2025, 18:57:32 UTC |
| Report deadline | 17 Dec 2025, 18:57:32 UTC |
| Received | 13 Dec 2025, 2:14:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632103 |
| Run time | 4 hours 40 min 10 sec |
| CPU time | 4 hours 40 min 10 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,120.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 679.64 MB |
| Peak swap size | 9.99 GB |
| Peak disk usage | 3.55 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:36:18 (11300): wrapper (7.9.26016): starting
22:36:18 (11300): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A30_0.pdb
QB_A20_A30_0.xml
QB_A20_A30_equil.pdb
QB_A20_A30.inpcrd
QB_A20_A30_input.yaml
QB_A20_A30_mdlambda.pdb
QB_A20_A30_min.pdb
QB_A20_A30_npt.pdb
QB_A20_A30_out_merged_nowater.pdb
QB_A20_A30.pdb
QB_A20_A30.prmtop
QB_A20_A30_sys.xml
QB_A20_A30_therm.pdb
run.bat
run.sh
22:36:19 (11300): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:36:19 (11300): 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\2\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\2\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
03:08:05 (11300): C:/Windows/system32/cmd.exe exited; CPU time 16810.234375
03:08:05 (11300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 179189873 bytes.
Dumping objects ->
{3835364} normal block at 0x000001C2780014F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835353} normal block at 0x000001C278001100, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835342} normal block at 0x000001C2780008B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835331} normal block at 0x000001C278001170, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835320} normal block at 0x000001C278001480, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835289} normal block at 0x000001C2780F5960, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835278} normal block at 0x000001C278154EA0, 180 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) : {3835275} normal block at 0x000001C276487680, 8 bytes long.
Data: < àw > 00 00 E0 77 C2 01 00 00
{3834622} normal block at 0x000001C278154630, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833977} normal block at 0x000001C276488300, 8 bytes long.
Data: <  x > A0 19 15 78 C2 01 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001C276492450, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001C27647D370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x000001C2764942F0, 16 bytes long.
Data: <xGIv > 78 47 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001C276494200, 16 bytes long.
Data: <PGIv > 50 47 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001C27648E290, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x000001C276493EE0, 16 bytes long.
Data: <(GIv > 28 47 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001C276493E90, 16 bytes long.
Data: < GIv > 00 47 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001C276493D50, 16 bytes long.
Data: <ØFIv > D8 46 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C276493580, 16 bytes long.
Data: <°FIv > B0 46 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C27648C5C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x000001C276493C10, 16 bytes long.
Data: <¸½Gv > B8 BD 47 76 C2 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C27648E4D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x000001C276493BC0, 16 bytes long.
Data: < ½Gv > 90 BD 47 76 C2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C2764943E0, 16 bytes long.
Data: <h½Gv > 68 BD 47 76 C2 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C276493A80, 16 bytes long.
Data: <@½Gv > 40 BD 47 76 C2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C276493AD0, 16 bytes long.
Data: < ½Gv > 18 BD 47 76 C2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C276493D00, 16 bytes long.
Data: <ð¼Gv > F0 BC 47 76 C2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C2764941B0, 16 bytes long.
Data: <ȼGv > C8 BC 47 76 C2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C27648E7D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x000001C276493A30, 16 bytes long.
Data: < ¼Gv > A0 BC 47 76 C2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C27647BCA0, 320 bytes long.
Data: <0:Iv ÐçHv > 30 3A 49 76 C2 01 00 00 D0 E7 48 76 C2 01 00 00
{284} normal block at 0x000001C2764939E0, 16 bytes long.
Data: < FIv > 90 46 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C2764936C0, 16 bytes long.
Data: <hFIv > 68 46 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C27648E470, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x000001C276493E40, 16 bytes long.
Data: <@FIv > 40 46 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C27648E890, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x000001C276493CB0, 16 bytes long.
Data: < EIv > 88 45 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C276493990, 16 bytes long.
Data: <`EIv > 60 45 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C2764938F0, 16 bytes long.
Data: <8EIv > 38 45 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C276494160, 16 bytes long.
Data: < EIv > 10 45 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C276493FD0, 16 bytes long.
Data: <èDIv > E8 44 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C276494110, 16 bytes long.
Data: <ÀDIv > C0 44 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C276494020, 16 bytes long.
Data: < ÄHv > 00 C4 48 76 C2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C27648C400, 40 bytes long.
Data: < @Iv `Y x > 20 40 49 76 C2 01 00 00 60 59 0F 78 C2 01 00 00
{270} normal block at 0x000001C276493F80, 16 bytes long.
Data: < DIv > A0 44 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C276493F30, 16 bytes long.
Data: <xDIv > 78 44 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C27648E830, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x000001C2764938A0, 16 bytes long.
Data: <PDIv > 50 44 49 76 C2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C276494450, 992 bytes long.
Data: < 8Iv 0èHv > A0 38 49 76 C2 01 00 00 30 E8 48 76 C2 01 00 00
{102} normal block at 0x000001C27648E6B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x000001C2764882B0, 16 bytes long.
Data: <PÅHv > 50 C5 48 76 C2 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x000001C27648C550, 40 bytes long.
Data: <°‚Hv °æHv > B0 82 48 76 C2 01 00 00 B0 E6 48 76 C2 01 00 00
{79} normal block at 0x000001C276488260, 16 bytes long.
Data: < ê ¥ö > 80 EA 1F A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001C276488080, 16 bytes long.
Data: <@é ¥ö > 40 E9 1F A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001C2764878B0, 16 bytes long.
Data: <øW ¥ö > F8 57 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001C276487B30, 16 bytes long.
Data: <ØW ¥ö > D8 57 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001C276487E00, 16 bytes long.
Data: <P ¥ö > 50 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001C276487590, 16 bytes long.
Data: <0 ¥ö > 30 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001C276487DB0, 16 bytes long.
Data: <à ¥ö > E0 02 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001C276487F40, 16 bytes long.
Data: < ¥ö > 10 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C276487D60, 16 bytes long.
Data: <p ¥ö > 70 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C276487D10, 16 bytes long.
Data: < À ¥ö > 18 C0 1A A5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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