Task 38613259
| Name | JNK1_A03_A11_r0_2-QUICO_ATM_OpenFF_JNK1-3-6-RND6676_1 |
| Workunit | 31565717 |
| Created | 16 Apr 2026, 17:54:22 UTC |
| Sent | 16 Apr 2026, 17:54:25 UTC |
| Report deadline | 21 Apr 2026, 17:54:25 UTC |
| Received | 17 Apr 2026, 2:47:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643393 |
| Run time | 3 hours 4 min 4 sec |
| CPU time | 3 hours 2 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 44,753.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 691.49 MB |
| Peak swap size | 3.94 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:44:22 (13796): wrapper (7.9.26016): starting
01:44:22 (13796): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A11_0.pdb
QB_A03_A11_0.xml
QB_A03_A11.inpcrd
QB_A03_A11_input.yaml
QB_A03_A11.pdb
QB_A03_A11.prmtop
QB_A03_A11_sys.xml
run.bat
run.sh
01:44:23 (13796): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:44:23 (13796): 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
04:47:17 (13796): C:/Windows/system32/cmd.exe exited; CPU time 10923.109375
04:47:17 (13796): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 154025549 bytes.
Dumping objects ->
{3835216} normal block at 0x000001B2A1F05DF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835205} normal block at 0x000001B2A1F061E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x000001B2A1F06800, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835183} normal block at 0x000001B2A1F063A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x000001B2A1F06720, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835141} normal block at 0x000001B2A1E6AE10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835130} normal block at 0x000001B2A1F52310, 141 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) : {3835127} normal block at 0x000001B2A032CD20, 8 bytes long.
Data: < À¡² > 00 00 C0 A1 B2 01 00 00
{3834529} normal block at 0x000001B2A1F52650, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001B2A032C910, 8 bytes long.
Data: < e졲 > 10 65 EC A1 B2 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001B2A032FDC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B2A0330E40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001B2A032C9B0, 16 bytes long.
Data: <È 3 ² > C8 13 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B2A032C230, 16 bytes long.
Data: <  3 ² > A0 13 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B2A03290B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001B2A032C140, 16 bytes long.
Data: <x 3 ² > 78 13 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B2A032C960, 16 bytes long.
Data: <P 3 ² > 50 13 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B2A032CC30, 16 bytes long.
Data: <( 3 ² > 28 13 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B2A032C8C0, 16 bytes long.
Data: < 3 ² > 00 13 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B2A032A830, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001B2A032C0F0, 16 bytes long.
Data: <Ø 3 ² > D8 0D 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B2A0328C30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001B2A032CCD0, 16 bytes long.
Data: <° 3 ² > B0 0D 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B2A032C0A0, 16 bytes long.
Data: < 3 ² > 88 0D 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B2A032BEC0, 16 bytes long.
Data: <` 3 ² > 60 0D 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B2A032BFB0, 16 bytes long.
Data: <8 3 ² > 38 0D 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B2A032CAF0, 16 bytes long.
Data: < 3 ² > 10 0D 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B2A032C870, 16 bytes long.
Data: <è 3 ² > E8 0C 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B2A0328810, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001B2A032C820, 16 bytes long.
Data: <À 3 ² > C0 0C 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B2A0330CC0, 320 bytes long.
Data: < È2 ² 2 ² > 20 C8 32 A0 B2 01 00 00 10 88 32 A0 B2 01 00 00
{269} normal block at 0x000001B2A032C5A0, 16 bytes long.
Data: <à 3 ² > E0 12 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B2A032C7D0, 16 bytes long.
Data: <¸ 3 ² > B8 12 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B2A0329650, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001B2A032CDC0, 16 bytes long.
Data: < 3 ² > 90 12 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B2A03294D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001B2A032BF10, 16 bytes long.
Data: <Ø 3 ² > D8 11 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B2A032C690, 16 bytes long.
Data: <° 3 ² > B0 11 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B2A032C780, 16 bytes long.
Data: < 3 ² > 88 11 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B2A032C640, 16 bytes long.
Data: <` 3 ² > 60 11 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B2A032C2D0, 16 bytes long.
Data: <8 3 ² > 38 11 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B2A032CD70, 16 bytes long.
Data: < 3 ² > 10 11 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B2A032CAA0, 16 bytes long.
Data: < ­2 ² > 00 AD 32 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B2A032AD00, 40 bytes long.
Data: < Ê2 ² ®æ¡² > A0 CA 32 A0 B2 01 00 00 10 AE E6 A1 B2 01 00 00
{255} normal block at 0x000001B2A032C500, 16 bytes long.
Data: <ð 3 ² > F0 10 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001B2A032C050, 16 bytes long.
Data: <È 3 ² > C8 10 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001B2A03292F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001B2A032C280, 16 bytes long.
Data: <  3 ² > A0 10 33 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001B2A03310A0, 992 bytes long.
Data: < Â2 ² ð’2 ² > 80 C2 32 A0 B2 01 00 00 F0 92 32 A0 B2 01 00 00
{87} normal block at 0x000001B2A0328BD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001B2A032BF60, 16 bytes long.
Data: <p­2 ² > 70 AD 32 A0 B2 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001B2A032AD70, 40 bytes long.
Data: <`¿2 ² Ћ2 ² > 60 BF 32 A0 B2 01 00 00 D0 8B 32 A0 B2 01 00 00
{64} normal block at 0x000001B2A032C410, 16 bytes long.
Data: < êÚ ÷ > 80 EA DA A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B2A031B020, 16 bytes long.
Data: <@éÚ ÷ > 40 E9 DA A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B2A031AFD0, 16 bytes long.
Data: <øW× ÷ > F8 57 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B2A031AF80, 16 bytes long.
Data: <ØW× ÷ > D8 57 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B2A031AF30, 16 bytes long.
Data: <P × ÷ > 50 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B2A031AEE0, 16 bytes long.
Data: <0 × ÷ > 30 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B2A031AE90, 16 bytes long.
Data: <à × ÷ > E0 02 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B2A031AE40, 16 bytes long.
Data: < × ÷ > 10 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001B2A031ADF0, 16 bytes long.
Data: <p × ÷ > 70 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001B2A031AD50, 16 bytes long.
Data: < ÀÕ ÷ > 18 C0 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra