Task 38638011
| Name | JNK1_RE_A19_A14_r0_4-QUICO_ATM_GAFF2_NAGL_JNK1_RE-1-6-RND9986_0 |
| Workunit | 31585896 |
| Created | 29 Apr 2026, 23:36:09 UTC |
| Sent | 29 Apr 2026, 23:36:13 UTC |
| Report deadline | 4 May 2026, 23:36:13 UTC |
| Received | 30 Apr 2026, 15:29:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638645 |
| Run time | 5 hours 1 min 49 sec |
| CPU time | 5 hours 1 min 49 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 11,927.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.22 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
12:30:54 (18356): wrapper (7.9.26016): starting
12:30:54 (18356): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A14_0.pdb
QB_A19_A14_0.xml
QB_A19_A14.inpcrd
QB_A19_A14_input.yaml
QB_A19_A14.pdb
QB_A19_A14.prmtop
QB_A19_A14_sys.xml
run.bat
run.sh
12:30:55 (18356): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:30:55 (18356): 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\16\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\16\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
17:25:49 (18356): C:/Windows/system32/cmd.exe exited; CPU time 18109.062500
17:25:49 (18356): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 211601951 bytes.
Dumping objects ->
{3835653} normal block at 0x000001A32FB75BE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835642} normal block at 0x000001A32FB75390, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835631} normal block at 0x000001A32FB75550, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835620} normal block at 0x000001A32FB75EF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835609} normal block at 0x000001A32FB756A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835578} normal block at 0x000001A33188C390, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835567} normal block at 0x000001A32FB494C0, 200 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) : {3835564} normal block at 0x000001A32FB45570, 8 bytes long.
Data: < e1£ > 00 00 65 31 A3 01 00 00
{3834735} normal block at 0x000001A32FB48F70, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000001A32FB461A0, 8 bytes long.
Data: <  Á/£ > A0 FF C1 2F A3 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001A32FB50DC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A32FB35B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001A32FB52760, 16 bytes long.
Data: <¸.µ/£ > B8 2E B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A32FB52710, 16 bytes long.
Data: < .µ/£ > 90 2E B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A32FB46E70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001A32FB52030, 16 bytes long.
Data: <h.µ/£ > 68 2E B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A32FB52440, 16 bytes long.
Data: <@.µ/£ > 40 2E B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A32FB51BD0, 16 bytes long.
Data: < .µ/£ > 18 2E B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A32FB51D60, 16 bytes long.
Data: <ð-µ/£ > F0 2D B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A32FB4B790, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001A32FB51C20, 16 bytes long.
Data: <ÈZ³/£ > C8 5A B3 2F A3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A32FB46B70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001A32FB51FE0, 16 bytes long.
Data: < Z³/£ > A0 5A B3 2F A3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A32FB523F0, 16 bytes long.
Data: <xZ³/£ > 78 5A B3 2F A3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A32FB52350, 16 bytes long.
Data: <PZ³/£ > 50 5A B3 2F A3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A32FB521C0, 16 bytes long.
Data: <(Z³/£ > 28 5A B3 2F A3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A32FB525D0, 16 bytes long.
Data: < Z³/£ > 00 5A B3 2F A3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A32FB52120, 16 bytes long.
Data: <ØY³/£ > D8 59 B3 2F A3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A32FB46B10, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x000001A32FB522B0, 16 bytes long.
Data: <°Y³/£ > B0 59 B3 2F A3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A32FB359B0, 320 bytes long.
Data: <°"µ/£ k´/£ > B0 22 B5 2F A3 01 00 00 10 6B B4 2F A3 01 00 00
{268} normal block at 0x000001A32FB52260, 16 bytes long.
Data: <Ð-µ/£ > D0 2D B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A32FB52A80, 16 bytes long.
Data: <¨-µ/£ > A8 2D B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A32FB46F30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001A32FB52170, 16 bytes long.
Data: < -µ/£ > 80 2D B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A32FB46E10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001A32FB529E0, 16 bytes long.
Data: <È,µ/£ > C8 2C B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A32FB51EF0, 16 bytes long.
Data: < ,µ/£ > A0 2C B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A32FB51F40, 16 bytes long.
Data: <x,µ/£ > 78 2C B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A32FB523A0, 16 bytes long.
Data: <P,µ/£ > 50 2C B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A32FB52210, 16 bytes long.
Data: <(,µ/£ > 28 2C B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001A32FB52AD0, 16 bytes long.
Data: < ,µ/£ > 00 2C B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001A32FB520D0, 16 bytes long.
Data: <°¶´/£ > B0 B6 B4 2F A3 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001A32FB4B6B0, 40 bytes long.
Data: <Ð µ/£ Ã 1£ > D0 20 B5 2F A3 01 00 00 90 C3 88 31 A3 01 00 00
{254} normal block at 0x000001A32FB51EA0, 16 bytes long.
Data: <à+µ/£ > E0 2B B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001A32FB51F90, 16 bytes long.
Data: <¸+µ/£ > B8 2B B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001A32FB46D50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001A32FB52580, 16 bytes long.
Data: < +µ/£ > 90 2B B5 2F A3 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001A32FB52B90, 992 bytes long.
Data: < %µ/£ Pm´/£ > 80 25 B5 2F A3 01 00 00 50 6D B4 2F A3 01 00 00
{86} normal block at 0x000001A32FB46990, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001A32FB45FC0, 16 bytes long.
Data: <P¹´/£ > 50 B9 B4 2F A3 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001A32FB4B950, 40 bytes long.
Data: <À_´/£ i´/£ > C0 5F B4 2F A3 01 00 00 90 69 B4 2F A3 01 00 00
{63} normal block at 0x000001A32FB45B60, 16 bytes long.
Data: < ê,§ö > 80 EA 2C A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A32FB45AC0, 16 bytes long.
Data: <@é,§ö > 40 E9 2C A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A32FB45F70, 16 bytes long.
Data: <øW)§ö > F8 57 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A32FB46240, 16 bytes long.
Data: <ØW)§ö > D8 57 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001A32FB45ED0, 16 bytes long.
Data: <P )§ö > 50 04 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001A32FB45660, 16 bytes long.
Data: <0 )§ö > 30 04 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001A32FB46380, 16 bytes long.
Data: <à )§ö > E0 02 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001A32FB46420, 16 bytes long.
Data: < )§ö > 10 04 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001A32FB45E30, 16 bytes long.
Data: <p )§ö > 70 04 29 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001A32FB45A70, 16 bytes long.
Data: < À'§ö > 18 C0 27 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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