Task 38610565
| Name | TYK2_A08_A09_r0_4-QUICO_ATM_OpenFF_TYK2-3-6-RND9797_0 |
| Workunit | 31563447 |
| Created | 15 Apr 2026, 11:12:28 UTC |
| Sent | 15 Apr 2026, 11:12:32 UTC |
| Report deadline | 20 Apr 2026, 11:12:32 UTC |
| Received | 15 Apr 2026, 17:32:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643666 |
| Run time | 3 hours 27 min 50 sec |
| CPU time | 3 hours 27 min 50 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 22,248.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.85 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:07:38 (9420): wrapper (7.9.26016): starting
16:07:38 (9420): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A09_0.pdb
QB_A08_A09_0.xml
QB_A08_A09.inpcrd
QB_A08_A09_input.yaml
QB_A08_A09.pdb
QB_A08_A09.prmtop
QB_A08_A09_sys.xml
run.bat
run.sh
16:07:39 (9420): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:07:39 (9420): 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 'D:\BOINC\slots\12\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 'D:\BOINC\slots\12\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
19:31:48 (9420): C:/Windows/system32/cmd.exe exited; CPU time 12470.500000
19:31:48 (9420): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 182491853 bytes.
Dumping objects ->
{3835573} normal block at 0x0000023E9FB44B80, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835562} normal block at 0x0000023EA1866550, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835551} normal block at 0x0000023EA18654D0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835540} normal block at 0x0000023EA1865470, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835529} normal block at 0x0000023EA1865AD0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835498} normal block at 0x0000023E9FB44B10, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835487} normal block at 0x0000023E9FB3C270, 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) : {3835484} normal block at 0x0000023E9FB3F6F0, 8 bytes long.
Data: < ­Ÿ> > 00 00 AD 9F 3E 02 00 00
{3834707} normal block at 0x0000023E9FB3AE40, 200 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 0x0000023E9FB3FB50, 8 bytes long.
Data: <°Î²Ÿ> > B0 CE B2 9F 3E 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023E9FB31E10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023E9FB30800, 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 0x0000023E9FB46100, 16 bytes long.
Data: <hg´Ÿ> > 68 67 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023E9FB45ED0, 16 bytes long.
Data: <@g´Ÿ> > 40 67 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023E9FB40FB0, 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 0x0000023E9FB45E30, 16 bytes long.
Data: < g´Ÿ> > 18 67 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023E9FB45610, 16 bytes long.
Data: <ðf´Ÿ> > F0 66 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023E9FB45C00, 16 bytes long.
Data: <Èf´Ÿ> > C8 66 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023E9FB460B0, 16 bytes long.
Data: < f´Ÿ> > A0 66 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023E9FB44E90, 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 0x0000023E9FB45BB0, 16 bytes long.
Data: < ³Ÿ> > 98 16 B3 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023E9FB411F0, 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 0x0000023E9FB46060, 16 bytes long.
Data: <p ³Ÿ> > 70 16 B3 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023E9FB458E0, 16 bytes long.
Data: <H ³Ÿ> > 48 16 B3 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023E9FB45520, 16 bytes long.
Data: < ³Ÿ> > 20 16 B3 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023E9FB45B60, 16 bytes long.
Data: <ø ³Ÿ> > F8 15 B3 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023E9FB45660, 16 bytes long.
Data: <Ð ³Ÿ> > D0 15 B3 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023E9FB45930, 16 bytes long.
Data: <¨ ³Ÿ> > A8 15 B3 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023E9FB40710, 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 0x0000023E9FB463D0, 16 bytes long.
Data: < ³Ÿ> > 80 15 B3 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023E9FB31580, 320 bytes long.
Data: <Ðc´Ÿ> ´Ÿ> > D0 63 B4 9F 3E 02 00 00 10 07 B4 9F 3E 02 00 00
{274} normal block at 0x0000023E9FB459D0, 16 bytes long.
Data: < f´Ÿ> > 80 66 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023E9FB45B10, 16 bytes long.
Data: <Xf´Ÿ> > 58 66 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023E9FB40A10, 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 0x0000023E9FB45A20, 16 bytes long.
Data: <0f´Ÿ> > 30 66 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023E9FB40F50, 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 0x0000023E9FB46380, 16 bytes long.
Data: <xe´Ÿ> > 78 65 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023E9FB45FC0, 16 bytes long.
Data: <Pe´Ÿ> > 50 65 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023E9FB45980, 16 bytes long.
Data: <(e´Ÿ> > 28 65 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023E9FB45A70, 16 bytes long.
Data: < e´Ÿ> > 00 65 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023E9FB46010, 16 bytes long.
Data: <Ød´Ÿ> > D8 64 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023E9FB45E80, 16 bytes long.
Data: <°d´Ÿ> > B0 64 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023E9FB455C0, 16 bytes long.
Data: <°M´Ÿ> > B0 4D B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023E9FB44DB0, 40 bytes long.
Data: <ÀU´Ÿ> K´Ÿ> > C0 55 B4 9F 3E 02 00 00 10 4B B4 9F 3E 02 00 00
{260} normal block at 0x0000023E9FB45C50, 16 bytes long.
Data: < d´Ÿ> > 90 64 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023E9FB45AC0, 16 bytes long.
Data: <hd´Ÿ> > 68 64 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023E9FB41310, 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 0x0000023E9FB45DE0, 16 bytes long.
Data: <@d´Ÿ> > 40 64 B4 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023E9FB46440, 992 bytes long.
Data: <à]´Ÿ> ´Ÿ> > E0 5D B4 9F 3E 02 00 00 10 13 B4 9F 3E 02 00 00
{92} normal block at 0x0000023E9FB40530, 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 0x0000023E9FB3F880, 16 bytes long.
Data: < > > 00 EE B2 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000023E9FB2EE00, 40 bytes long.
Data: < ø³Ÿ> 0 ´Ÿ> > 80 F8 B3 9F 3E 02 00 00 30 05 B4 9F 3E 02 00 00
{69} normal block at 0x0000023E9FB40410, 16 bytes long.
Data: < êû4ö > 80 EA FB 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023E9FB3FC90, 16 bytes long.
Data: <@éû4ö > 40 E9 FB 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023E9FB3F6A0, 16 bytes long.
Data: <øWø4ö > F8 57 F8 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023E9FB3F600, 16 bytes long.
Data: <ØWø4ö > D8 57 F8 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023E9FB3F650, 16 bytes long.
Data: <P ø4ö > 50 04 F8 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023E9FB3F7E0, 16 bytes long.
Data: <0 ø4ö > 30 04 F8 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023E9FB3F740, 16 bytes long.
Data: <à ø4ö > E0 02 F8 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023E9FB3F5B0, 16 bytes long.
Data: < ø4ö > 10 04 F8 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023E9FB3F830, 16 bytes long.
Data: <p ø4ö > 70 04 F8 34 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023E9FB3FEC0, 16 bytes long.
Data: < Àö4ö > 18 C0 F6 34 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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