Task 38609582
| Name | JNK1_A13_A20_r0_1-QUICO_ATM_GAFF2_NAGL_JNK1-5-6-RND8472_0 |
| Workunit | 31562612 |
| Created | 15 Apr 2026, 0:56:06 UTC |
| Sent | 15 Apr 2026, 0:56:14 UTC |
| Report deadline | 20 Apr 2026, 0:56:14 UTC |
| Received | 16 Apr 2026, 8:21:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652044 |
| Run time | 7 hours 1 min 58 sec |
| CPU time | 6 hours 6 min 41 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 33,168.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.72 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 3.09 GB |
Stderr output
<core_client_version>7.24.5</core_client_version>
<![CDATA[
<stderr_txt>
18:19:12 (10488): wrapper (7.9.26016): starting
18:19:12 (10488): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A20_0.pdb
QB_A13_A20_0.xml
QB_A13_A20.inpcrd
QB_A13_A20_input.yaml
QB_A13_A20.pdb
QB_A13_A20.prmtop
QB_A13_A20_sys.xml
run.bat
run.sh
18:19:14 (10488): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:19:14 (10488): 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\BOINC2\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\BOINC2\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
01:20:20 (10488): C:/Windows/system32/cmd.exe exited; CPU time 22001.796875
01:20:20 (10488): 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: 352823209 bytes.
Dumping objects ->
{3835282} normal block at 0x000001AB9BC620A0, 48 bytes long.
Data: <PATH=c:\programD> 50 41 54 48 3D 63 3A 5C 70 72 6F 67 72 61 6D 44
{3835271} normal block at 0x000001AB9BC61F50, 48 bytes long.
Data: <HOME=c:\programD> 48 4F 4D 45 3D 63 3A 5C 70 72 6F 67 72 61 6D 44
{3835260} normal block at 0x000001AB9BC62570, 48 bytes long.
Data: <TMP=c:\programDa> 54 4D 50 3D 63 3A 5C 70 72 6F 67 72 61 6D 44 61
{3835249} normal block at 0x000001AB9BC626C0, 48 bytes long.
Data: <TEMP=c:\programD> 54 45 4D 50 3D 63 3A 5C 70 72 6F 67 72 61 6D 44
{3835238} normal block at 0x000001AB9BC627A0, 48 bytes long.
Data: <TMPDIR=c:\progra> 54 4D 50 44 49 52 3D 63 3A 5C 70 72 6F 67 72 61
{3835207} normal block at 0x000001AB9BD0B700, 64 bytes long.
Data: <PATH=c:\programD> 50 41 54 48 3D 63 3A 5C 70 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835194} normal block at 0x000001AB9A0FAD90, 8 bytes long.
Data: < ¨›« > 00 00 A8 9B AB 01 00 00
{3833953} normal block at 0x000001AB9A0FACF0, 8 bytes long.
Data: <ྠš« > E0 BE 0E 9A AB 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001AB9A0EEDF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001AB9A0EBB70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001AB9A1024D0, 16 bytes long.
Data: <h6 š« > 68 36 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AB9A1020C0, 16 bytes long.
Data: <@6 š« > 40 36 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AB9A0FE4B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001AB9A102070, 16 bytes long.
Data: < 6 š« > 18 36 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AB9A1021B0, 16 bytes long.
Data: <ð5 š« > F0 35 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AB9A102E80, 16 bytes long.
Data: <È5 š« > C8 35 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AB9A102480, 16 bytes long.
Data: < 5 š« > A0 35 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AB9A0FC9C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001AB9A1026B0, 16 bytes long.
Data: < ® š« > 88 AE 0E 9A AB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AB9A0FE870, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001AB9A102430, 16 bytes long.
Data: <`® š« > 60 AE 0E 9A AB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AB9A102ED0, 16 bytes long.
Data: <8® š« > 38 AE 0E 9A AB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AB9A102D40, 16 bytes long.
Data: < ® š« > 10 AE 0E 9A AB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AB9A1022A0, 16 bytes long.
Data: <è­ š« > E8 AD 0E 9A AB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AB9A102340, 16 bytes long.
Data: <À­ š« > C0 AD 0E 9A AB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AB9A1027F0, 16 bytes long.
Data: < ­ š« > 98 AD 0E 9A AB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AB9A0FDA90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001AB9A102020, 16 bytes long.
Data: <p­ š« > 70 AD 0E 9A AB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AB9A0EAD70, 320 bytes long.
Data: < š« Ú š« > 20 20 10 9A AB 01 00 00 90 DA 0F 9A AB 01 00 00
{272} normal block at 0x000001AB9A102160, 16 bytes long.
Data: < 5 š« > 80 35 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AB9A102980, 16 bytes long.
Data: <X5 š« > 58 35 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AB9A0FE090, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001AB9A102390, 16 bytes long.
Data: <05 š« > 30 35 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AB9A0FE330, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001AB9A102700, 16 bytes long.
Data: <x4 š« > 78 34 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AB9A101FD0, 16 bytes long.
Data: <P4 š« > 50 34 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AB9A102660, 16 bytes long.
Data: <(4 š« > 28 34 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AB9A102930, 16 bytes long.
Data: < 4 š« > 00 34 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AB9A102750, 16 bytes long.
Data: <Ø3 š« > D8 33 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AB9A102E30, 16 bytes long.
Data: <°3 š« > B0 33 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AB9A102110, 16 bytes long.
Data: <PÉ š« > 50 C9 0F 9A AB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AB9A0FC950, 40 bytes long.
Data: < ! š« ·Ð›« > 10 21 10 9A AB 01 00 00 00 B7 D0 9B AB 01 00 00
{258} normal block at 0x000001AB9A1025C0, 16 bytes long.
Data: < 3 š« > 90 33 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001AB9A102AC0, 16 bytes long.
Data: <h3 š« > 68 33 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001AB9A0FDC10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001AB9A102B10, 16 bytes long.
Data: <@3 š« > 40 33 10 9A AB 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001AB9A103340, 992 bytes long.
Data: < + š« Ü š« > 10 2B 10 9A AB 01 00 00 10 DC 0F 9A AB 01 00 00
{90} normal block at 0x000001AB9A0FDD90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001AB9A0FA2A0, 16 bytes long.
Data: <àÈ š« > E0 C8 0F 9A AB 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001AB9A0FC8E0, 40 bytes long.
Data: < ¢ š« Ý š« > A0 A2 0F 9A AB 01 00 00 90 DD 0F 9A AB 01 00 00
{67} normal block at 0x000001AB9A0FA7F0, 16 bytes long.
Data: < êɽö > 80 EA C9 BD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AB9A0FAB60, 16 bytes long.
Data: <@éɽö > 40 E9 C9 BD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AB9A0FAFC0, 16 bytes long.
Data: <øWƽö > F8 57 C6 BD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AB9A0FAF70, 16 bytes long.
Data: <ØWƽö > D8 57 C6 BD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AB9A0FA5C0, 16 bytes long.
Data: <P ƽö > 50 04 C6 BD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AB9A0FA6B0, 16 bytes long.
Data: <0 ƽö > 30 04 C6 BD F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AB9A0FB150, 16 bytes long.
Data: <à ƽö > E0 02 C6 BD F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AB9A0FAF20, 16 bytes long.
Data: < ƽö > 10 04 C6 BD F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001AB9A0FAAC0, 16 bytes long.
Data: <p ƽö > 70 04 C6 BD F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001AB9A0FA610, 16 bytes long.
Data: < ÀĽö > 18 C0 C4 BD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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