Task 38640951
| Name | JNK1_RE_A15_A14_r0_5-QUICO_ATM_GAFF2_NAGL_JNK1_RE-3-6-RND3508_0 |
| Workunit | 31588220 |
| Created | 2 May 2026, 2:15:58 UTC |
| Sent | 2 May 2026, 2:16:13 UTC |
| Report deadline | 7 May 2026, 2:16:13 UTC |
| Received | 2 May 2026, 18:26:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613742 |
| Run time | 3 hours 58 min 57 sec |
| CPU time | 3 hours 58 min 17 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 33,171.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 684.99 MB |
| Peak swap size | 5.44 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:27:06 (944): wrapper (7.9.26016): starting
17:27:06 (944): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A14_0.pdb
QB_A15_A14_0.xml
QB_A15_A14.inpcrd
QB_A15_A14_input.yaml
QB_A15_A14.pdb
QB_A15_A14.prmtop
QB_A15_A14_sys.xml
run.bat
run.sh
17:27:07 (944): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:27:07 (944): 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\9\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\9\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
21:25:17 (944): C:/Windows/system32/cmd.exe exited; CPU time 14297.296875
21:25:17 (944): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 188590039 bytes.
Dumping objects ->
{3835233} normal block at 0x00000230D6CB1560, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x00000230D6CB1330, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x00000230D6CB0A00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835200} normal block at 0x00000230D6CB1640, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835189} normal block at 0x00000230D6CB07D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835158} normal block at 0x00000230D6DDDF40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835147} normal block at 0x00000230D52B5F60, 140 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) : {3835144} normal block at 0x00000230D526BA50, 8 bytes long.
Data: < #Õ0 > 00 00 23 D5 30 02 00 00
{3834542} normal block at 0x00000230D52B65E0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000230D526B960, 8 bytes long.
Data: <@L%Õ0 > 40 4C 25 D5 30 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000230D5254520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000230D5256350, 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 0x00000230D526B460, 16 bytes long.
Data: <È¿&Õ0 > C8 BF 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000230D526B4B0, 16 bytes long.
Data: < ¿&Õ0 > A0 BF 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000230D5266FA0, 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 0x00000230D526B3C0, 16 bytes long.
Data: <x¿&Õ0 > 78 BF 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000230D526B780, 16 bytes long.
Data: <P¿&Õ0 > 50 BF 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000230D526AE70, 16 bytes long.
Data: <(¿&Õ0 > 28 BF 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000230D526B370, 16 bytes long.
Data: < ¿&Õ0 > 00 BF 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000230D5266610, 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 0x00000230D526AE20, 16 bytes long.
Data: <ÈA%Õ0 > C8 41 25 D5 30 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000230D5267600, 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 0x00000230D526AD80, 16 bytes long.
Data: < A%Õ0 > A0 41 25 D5 30 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000230D526B2D0, 16 bytes long.
Data: <xA%Õ0 > 78 41 25 D5 30 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000230D526B140, 16 bytes long.
Data: <PA%Õ0 > 50 41 25 D5 30 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000230D526B410, 16 bytes long.
Data: <(A%Õ0 > 28 41 25 D5 30 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000230D526AFB0, 16 bytes long.
Data: < A%Õ0 > 00 41 25 D5 30 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000230D526AF60, 16 bytes long.
Data: <Ø@%Õ0 > D8 40 25 D5 30 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000230D5267A20, 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 0x00000230D526B0F0, 16 bytes long.
Data: <°@%Õ0 > B0 40 25 D5 30 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000230D52540B0, 320 bytes long.
Data: <ð°&Õ0 z&Õ0 > F0 B0 26 D5 30 02 00 00 20 7A 26 D5 30 02 00 00
{274} normal block at 0x00000230D526ACE0, 16 bytes long.
Data: <à¾&Õ0 > E0 BE 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000230D526BBE0, 16 bytes long.
Data: <¸¾&Õ0 > B8 BE 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000230D52673C0, 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 0x00000230D526B870, 16 bytes long.
Data: < ¾&Õ0 > 90 BE 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000230D52675A0, 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 0x00000230D526BC30, 16 bytes long.
Data: <ؽ&Õ0 > D8 BD 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000230D526B320, 16 bytes long.
Data: <°½&Õ0 > B0 BD 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000230D526B550, 16 bytes long.
Data: < ½&Õ0 > 88 BD 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000230D526B230, 16 bytes long.
Data: <`½&Õ0 > 60 BD 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000230D526BB40, 16 bytes long.
Data: <8½&Õ0 > 38 BD 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000230D526AF10, 16 bytes long.
Data: < ½&Õ0 > 10 BD 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000230D526B0A0, 16 bytes long.
Data: < m&Õ0 > 10 6D 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000230D5266D10, 40 bytes long.
Data: < °&Õ0 @ßÝÖ0 > A0 B0 26 D5 30 02 00 00 40 DF DD D6 30 02 00 00
{260} normal block at 0x00000230D526B190, 16 bytes long.
Data: <ð¼&Õ0 > F0 BC 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000230D526BAA0, 16 bytes long.
Data: <ȼ&Õ0 > C8 BC 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000230D5267AE0, 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 0x00000230D526ADD0, 16 bytes long.
Data: < ¼&Õ0 > A0 BC 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000230D526BCA0, 992 bytes long.
Data: <Э&Õ0 àz&Õ0 > D0 AD 26 D5 30 02 00 00 E0 7A 26 D5 30 02 00 00
{92} normal block at 0x00000230D52678A0, 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 0x00000230D525FB60, 16 bytes long.
Data: < l&Õ0 > A0 6C 26 D5 30 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000230D5266CA0, 40 bytes long.
Data: <`û%Õ0  x&Õ0 > 60 FB 25 D5 30 02 00 00 A0 78 26 D5 30 02 00 00
{69} normal block at 0x00000230D525F1B0, 16 bytes long.
Data: < ê Á÷ > 80 EA 17 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000230D525F840, 16 bytes long.
Data: <@é Á÷ > 40 E9 17 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000230D525F7A0, 16 bytes long.
Data: <øW Á÷ > F8 57 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000230D525FB10, 16 bytes long.
Data: <ØW Á÷ > D8 57 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000230D525FA70, 16 bytes long.
Data: <P Á÷ > 50 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000230D525F0C0, 16 bytes long.
Data: <0 Á÷ > 30 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000230D525F200, 16 bytes long.
Data: <à Á÷ > E0 02 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000230D525FE30, 16 bytes long.
Data: < Á÷ > 10 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000230D525F4D0, 16 bytes long.
Data: <p Á÷ > 70 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000230D525FDE0, 16 bytes long.
Data: < À Á÷ > 18 C0 12 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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