Task 38598615
| Name | TYK2_A04_A14_r0_1-QUICO_ATM_GAFF2_NAGL_TYK2-2-5-RND1235_1 |
| Workunit | 31552407 |
| Created | 8 Apr 2026, 10:42:15 UTC |
| Sent | 8 Apr 2026, 10:42:30 UTC |
| Report deadline | 13 Apr 2026, 10:42:30 UTC |
| Received | 8 Apr 2026, 19:49:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 565480 |
| Run time | 8 hours 33 min 37 sec |
| CPU time | 7 hours 11 min 47 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 19,181.29 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 619.12 MB |
| Peak swap size | 2.38 GB |
| Peak disk usage | 3.38 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:12:12 (5256): wrapper (7.9.26016): starting
05:12:12 (5256): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A14_0.pdb
QB_A04_A14_0.xml
QB_A04_A14.inpcrd
QB_A04_A14_input.yaml
QB_A04_A14.pdb
QB_A04_A14.prmtop
QB_A04_A14_sys.xml
run.bat
run.sh
05:12:17 (5256): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:12:17 (5256): 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\2\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\2\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
13:47:01 (5256): C:/Windows/system32/cmd.exe exited; CPU time 25907.218750
13:47:01 (5256): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 314718793 bytes.
Dumping objects ->
{3835251} normal block at 0x0000021EE6380CA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000021EE63815D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x0000021EE6381480, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x0000021EE6381410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x0000021EE63807D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x0000021EE642ED60, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x0000021EE49FFA80, 235 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) : {3835162} normal block at 0x0000021EE4A0B5A0, 8 bytes long.
Data: < •ä > 00 00 95 E4 1E 02 00 00
{3834555} normal block at 0x0000021EE4A00400, 235 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 0x0000021EE4A0B690, 8 bytes long.
Data: <°  ä > B0 08 A0 E4 1E 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021EE4A14500, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021EE4A15440, 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 0x0000021EE4A160D0, 16 bytes long.
Data: <Øm¡ä > D8 6D A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021EE4A157C0, 16 bytes long.
Data: <°m¡ä > B0 6D A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021EE4A11560, 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 0x0000021EE4A15770, 16 bytes long.
Data: < m¡ä > 88 6D A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021EE4A15F90, 16 bytes long.
Data: <`m¡ä > 60 6D A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021EE4A156D0, 16 bytes long.
Data: <8m¡ä > 38 6D A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021EE4A15EA0, 16 bytes long.
Data: < m¡ä > 10 6D A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021EE4A0F9D0, 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 0x0000021EE4A15EF0, 16 bytes long.
Data: <ØS¡ä > D8 53 A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021EE4A117A0, 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 0x0000021EE4A15630, 16 bytes long.
Data: <°S¡ä > B0 53 A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021EE4A16260, 16 bytes long.
Data: < S¡ä > 88 53 A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021EE4A15E00, 16 bytes long.
Data: <`S¡ä > 60 53 A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021EE4A15CC0, 16 bytes long.
Data: <8S¡ä > 38 53 A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021EE4A155E0, 16 bytes long.
Data: < S¡ä > 10 53 A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021EE4A15900, 16 bytes long.
Data: <èR¡ä > E8 52 A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021EE4A11920, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000021EE4A15540, 16 bytes long.
Data: <ÀR¡ä > C0 52 A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021EE4A152C0, 320 bytes long.
Data: <@U¡ä ¡ä > 40 55 A1 E4 1E 02 00 00 20 19 A1 E4 1E 02 00 00
{268} normal block at 0x0000021EE4A15C70, 16 bytes long.
Data: <ðl¡ä > F0 6C A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021EE4A15E50, 16 bytes long.
Data: <Èl¡ä > C8 6C A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021EE4A10C60, 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 0x0000021EE4A15C20, 16 bytes long.
Data: < l¡ä > A0 6C A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021EE4A10A20, 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 0x0000021EE4A15B80, 16 bytes long.
Data: <èk¡ä > E8 6B A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021EE4A15590, 16 bytes long.
Data: <Àk¡ä > C0 6B A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021EE4A159F0, 16 bytes long.
Data: < k¡ä > 98 6B A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021EE4A15810, 16 bytes long.
Data: <pk¡ä > 70 6B A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021EE4A15B30, 16 bytes long.
Data: <Hk¡ä > 48 6B A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021EE4A16210, 16 bytes long.
Data: < k¡ä > 20 6B A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021EE4A159A0, 16 bytes long.
Data: <àõ ä > E0 F5 A0 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000021EE4A0F5E0, 40 bytes long.
Data: < Y¡ä `íBæ > A0 59 A1 E4 1E 02 00 00 60 ED 42 E6 1E 02 00 00
{254} normal block at 0x0000021EE4A16170, 16 bytes long.
Data: < k¡ä > 00 6B A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000021EE4A16490, 16 bytes long.
Data: <Øj¡ä > D8 6A A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000021EE4A116E0, 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 0x0000021EE4A158B0, 16 bytes long.
Data: <°j¡ä > B0 6A A1 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000021EE4A16AB0, 992 bytes long.
Data: <°X¡ä à ¡ä > B0 58 A1 E4 1E 02 00 00 E0 16 A1 E4 1E 02 00 00
{86} normal block at 0x0000021EE4A114A0, 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 0x0000021EE4A0B550, 16 bytes long.
Data: <°ó ä > B0 F3 A0 E4 1E 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000021EE4A0F3B0, 40 bytes long.
Data: <Pµ ä   ¡ä > 50 B5 A0 E4 1E 02 00 00 A0 14 A1 E4 1E 02 00 00
{63} normal block at 0x0000021EE4A0B780, 16 bytes long.
Data: < ê"Q÷ > 80 EA 22 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021EE4A0B9B0, 16 bytes long.
Data: <@é"Q÷ > 40 E9 22 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021EE4A0BB90, 16 bytes long.
Data: <øW Q÷ > F8 57 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021EE4A0B230, 16 bytes long.
Data: <ØW Q÷ > D8 57 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021EE4A0B820, 16 bytes long.
Data: <P Q÷ > 50 04 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021EE4A0AC90, 16 bytes long.
Data: <0 Q÷ > 30 04 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021EE4A0BAF0, 16 bytes long.
Data: <à Q÷ > E0 02 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000021EE4A0B870, 16 bytes long.
Data: < Q÷ > 10 04 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000021EE4A0B370, 16 bytes long.
Data: <p Q÷ > 70 04 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000021EE4A0B4B0, 16 bytes long.
Data: < À Q÷ > 18 C0 1D 51 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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