Task 38609159
| Name | JNK1_A08_A11_r0_5-QUICO_ATM_OpenFF_JNK1-1-6-RND3708_0 |
| Workunit | 31562285 |
| Created | 14 Apr 2026, 21:24:39 UTC |
| Sent | 14 Apr 2026, 21:24:42 UTC |
| Report deadline | 19 Apr 2026, 21:24:42 UTC |
| Received | 15 Apr 2026, 7:51:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649996 |
| Run time | 6 hours 32 min 17 sec |
| CPU time | 6 hours 32 min 17 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,744.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 757.18 MB |
| Peak swap size | 24.96 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:33:41 (6676): wrapper (7.9.26016): starting
03:33:41 (6676): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A11_0.pdb
QB_A08_A11_0.xml
QB_A08_A11.inpcrd
QB_A08_A11_input.yaml
QB_A08_A11.pdb
QB_A08_A11.prmtop
QB_A08_A11_sys.xml
run.bat
run.sh
03:33:42 (6676): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:33:42 (6676): 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\41\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\41\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
09:55:43 (6676): C:/Windows/system32/cmd.exe exited; CPU time 23537.578125
09:55:43 (6676): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 354274564 bytes.
Dumping objects ->
{3835226} normal block at 0x0000015323D41600, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835215} normal block at 0x0000015321FA20F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x0000015321FA2010, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835193} normal block at 0x0000015321FA1EC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x0000015321FA2240, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835151} normal block at 0x0000015323D7A560, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835140} normal block at 0x0000015323DDB120, 85 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) : {3835137} normal block at 0x0000015321F9C020, 8 bytes long.
Data: < ô!S > 00 00 F4 21 53 01 00 00
{3834532} normal block at 0x0000015323DDAB80, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x0000015321F9C340, 8 bytes long.
Data: <à±Ý#S > E0 B1 DD 23 53 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000015321F9B020, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000015321F95D10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000015321FA3500, 16 bytes long.
Data: <H=ú!S > 48 3D FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015321FA3140, 16 bytes long.
Data: < =ú!S > 20 3D FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015321FA1690, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000015321FA2BF0, 16 bytes long.
Data: <ø<ú!S > F8 3C FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015321FA3960, 16 bytes long.
Data: <Ð<ú!S > D0 3C FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015321FA3640, 16 bytes long.
Data: <¨<ú!S > A8 3C FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015321FA2BA0, 16 bytes long.
Data: < <ú!S > 80 3C FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015321FA1F30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000015321FA2DD0, 16 bytes long.
Data: <¨òø!S > A8 F2 F8 21 53 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015321FA0E50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000015321FA2AB0, 16 bytes long.
Data: < òø!S > 80 F2 F8 21 53 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015321FA3050, 16 bytes long.
Data: <Xòø!S > 58 F2 F8 21 53 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015321FA2F60, 16 bytes long.
Data: <0òø!S > 30 F2 F8 21 53 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015321FA3780, 16 bytes long.
Data: < òø!S > 08 F2 F8 21 53 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015321FA3000, 16 bytes long.
Data: <àñø!S > E0 F1 F8 21 53 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000015321FA38C0, 16 bytes long.
Data: <¸ñø!S > B8 F1 F8 21 53 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015321FA0F10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000015321FA35F0, 16 bytes long.
Data: < ñø!S > 90 F1 F8 21 53 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015321F8F190, 320 bytes long.
Data: <ð5ú!S ú!S > F0 35 FA 21 53 01 00 00 10 0F FA 21 53 01 00 00
{270} normal block at 0x0000015321FA3910, 16 bytes long.
Data: <`<ú!S > 60 3C FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015321FA35A0, 16 bytes long.
Data: <8<ú!S > 38 3C FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015321FA1570, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000015321FA2FB0, 16 bytes long.
Data: < <ú!S > 10 3C FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015321FA17B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000015321FA34B0, 16 bytes long.
Data: <X;ú!S > 58 3B FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015321FA3820, 16 bytes long.
Data: <0;ú!S > 30 3B FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015321FA39B0, 16 bytes long.
Data: < ;ú!S > 08 3B FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015321FA2A60, 16 bytes long.
Data: <à:ú!S > E0 3A FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015321FA3370, 16 bytes long.
Data: <¸:ú!S > B8 3A FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000015321FA3320, 16 bytes long.
Data: < :ú!S > 90 3A FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000015321FA2D80, 16 bytes long.
Data: <°"ú!S > B0 22 FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000015321FA22B0, 40 bytes long.
Data: < -ú!S `¥×#S > 80 2D FA 21 53 01 00 00 60 A5 D7 23 53 01 00 00
{256} normal block at 0x0000015321FA3230, 16 bytes long.
Data: <p:ú!S > 70 3A FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000015321FA3460, 16 bytes long.
Data: <H:ú!S > 48 3A FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000015321FA1990, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000015321FA2C40, 16 bytes long.
Data: < :ú!S > 20 3A FA 21 53 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000015321FA3A20, 992 bytes long.
Data: <@,ú!S ú!S > 40 2C FA 21 53 01 00 00 90 19 FA 21 53 01 00 00
{88} normal block at 0x0000015321FA1B10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000015321F9BD50, 16 bytes long.
Data: <°Òø!S > B0 D2 F8 21 53 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000015321F8D2B0, 40 bytes long.
Data: <P½ù!S ú!S > 50 BD F9 21 53 01 00 00 10 1B FA 21 53 01 00 00
{65} normal block at 0x0000015321F9C7A0, 16 bytes long.
Data: < ê6 ö > 80 EA 36 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015321F9BF30, 16 bytes long.
Data: <@é6 ö > 40 E9 36 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015321F9C110, 16 bytes long.
Data: <øW3 ö > F8 57 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000015321F9C480, 16 bytes long.
Data: <ØW3 ö > D8 57 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000015321F9C250, 16 bytes long.
Data: <P 3 ö > 50 04 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000015321F9BE40, 16 bytes long.
Data: <0 3 ö > 30 04 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000015321F9BCB0, 16 bytes long.
Data: <à 3 ö > E0 02 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000015321F9C1B0, 16 bytes long.
Data: < 3 ö > 10 04 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000015321F9C570, 16 bytes long.
Data: <p 3 ö > 70 04 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000015321F9C160, 16 bytes long.
Data: < À1 ö > 18 C0 31 0F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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