Task 38601655
| Name | TYK2_A04_A02_r0_2-QUICO_ATM_GAFF2_NAGL_TYK2-4-5-RND1272_1 |
| Workunit | 31556020 |
| Created | 9 Apr 2026, 16:03:34 UTC |
| Sent | 9 Apr 2026, 16:03:36 UTC |
| Report deadline | 14 Apr 2026, 16:03:36 UTC |
| Received | 10 Apr 2026, 4:26:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651346 |
| Run time | 7 hours 34 min 22 sec |
| CPU time | 7 hours 22 min 29 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,331.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 648.38 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:31:19 (13156): wrapper (7.9.26016): starting
15:31:19 (13156): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A02_0.pdb
QB_A04_A02_0.xml
QB_A04_A02.inpcrd
QB_A04_A02_input.yaml
QB_A04_A02.pdb
QB_A04_A02.prmtop
QB_A04_A02_sys.xml
run.bat
run.sh
15:31:20 (13156): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:31:20 (13156): 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\1\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\1\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
23:04:56 (13156): C:/Windows/system32/cmd.exe exited; CPU time 26549.125000
23:04:56 (13156): 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: 324313743 bytes.
Dumping objects ->
{3835568} normal block at 0x000002C3B4EF2CD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835557} normal block at 0x000002C3B4EF2C60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835546} normal block at 0x000002C3B4EF2BF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835535} normal block at 0x000002C3B4EF3130, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835524} normal block at 0x000002C3B4EF2F70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835493} normal block at 0x000002C3B6CB5500, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835482} normal block at 0x000002C3B4EE0120, 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) : {3835479} normal block at 0x000002C3B4EED320, 8 bytes long.
Data: < RµÃ > 00 00 52 B5 C3 02 00 00
{3834703} normal block at 0x000002C3B4EDB620, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000002C3B4EECFB0, 8 bytes long.
Data: < Õí´Ã > 00 D5 ED B4 C3 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002C3B4EE0CB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002C3B4EE1F80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000002C3B4EF3D00, 16 bytes long.
Data: <ØOï´Ã > D8 4F EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002C3B4EF4700, 16 bytes long.
Data: <°Oï´Ã > B0 4F EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002C3B4EF0AA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000002C3B4EF4610, 16 bytes long.
Data: < Oï´Ã > 88 4F EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002C3B4EF3C60, 16 bytes long.
Data: <`Oï´Ã > 60 4F EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002C3B4EF45C0, 16 bytes long.
Data: <8Oï´Ã > 38 4F EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002C3B4EF3B70, 16 bytes long.
Data: < Oï´Ã > 10 4F EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C3B4EE05A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000002C3B4EF4520, 16 bytes long.
Data: <8 î´Ã > 38 05 EE B4 C3 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C3B4EF0C20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000002C3B4EF44D0, 16 bytes long.
Data: < î´Ã > 10 05 EE B4 C3 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C3B4EF3AD0, 16 bytes long.
Data: <è î´Ã > E8 04 EE B4 C3 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C3B4EF42F0, 16 bytes long.
Data: <À î´Ã > C0 04 EE B4 C3 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C3B4EF4430, 16 bytes long.
Data: < î´Ã > 98 04 EE B4 C3 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002C3B4EF3A80, 16 bytes long.
Data: <p î´Ã > 70 04 EE B4 C3 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002C3B4EF43E0, 16 bytes long.
Data: <H î´Ã > 48 04 EE B4 C3 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C3B4EF0DA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000002C3B4EF4070, 16 bytes long.
Data: < î´Ã > 20 04 EE B4 C3 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C3B4EE0420, 320 bytes long.
Data: <p@ï´Ã   ï´Ã > 70 40 EF B4 C3 02 00 00 A0 0D EF B4 C3 02 00 00
{273} normal block at 0x000002C3B4EF4840, 16 bytes long.
Data: <ðNï´Ã > F0 4E EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C3B4EF3D50, 16 bytes long.
Data: <ÈNï´Ã > C8 4E EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C3B4EF0800, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000002C3B4EF39E0, 16 bytes long.
Data: < Nï´Ã > A0 4E EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C3B4EF0D40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000002C3B4EF4160, 16 bytes long.
Data: <èMï´Ã > E8 4D EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C3B4EF4200, 16 bytes long.
Data: <ÀMï´Ã > C0 4D EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C3B4EF3B20, 16 bytes long.
Data: < Mï´Ã > 98 4D EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002C3B4EF3F80, 16 bytes long.
Data: <pMï´Ã > 70 4D EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002C3B4EF4570, 16 bytes long.
Data: <HMï´Ã > 48 4D EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002C3B4EF3C10, 16 bytes long.
Data: < Mï´Ã > 20 4D EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C3B4EF4390, 16 bytes long.
Data: < Äí´Ã > 00 C4 ED B4 C3 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C3B4EDC400, 40 bytes long.
Data: < Cï´Ã U˶à > 90 43 EF B4 C3 02 00 00 00 55 CB B6 C3 02 00 00
{259} normal block at 0x000002C3B4EF3BC0, 16 bytes long.
Data: < Mï´Ã > 00 4D EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002C3B4EF3CB0, 16 bytes long.
Data: <ØLï´Ã > D8 4C EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002C3B4EF0CE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000002C3B4EF4480, 16 bytes long.
Data: <°Lï´Ã > B0 4C EF B4 C3 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002C3B4EF4CB0, 992 bytes long.
Data: < Dï´Ã à ï´Ã > 80 44 EF B4 C3 02 00 00 E0 0C EF B4 C3 02 00 00
{91} normal block at 0x000002C3B4EF0E00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002C3B4EEDA50, 16 bytes long.
Data: <Àºí´Ã > C0 BA ED B4 C3 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002C3B4EDBAC0, 40 bytes long.
Data: <PÚî´Ã ï´Ã > 50 DA EE B4 C3 02 00 00 00 0E EF B4 C3 02 00 00
{68} normal block at 0x000002C3B4EEDBE0, 16 bytes long.
Data: < ê“Ù÷ > 80 EA 93 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002C3B4EED2D0, 16 bytes long.
Data: <@é“Ù÷ > 40 E9 93 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002C3B4EED9B0, 16 bytes long.
Data: <øW Ù÷ > F8 57 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002C3B4EED050, 16 bytes long.
Data: <ØW Ù÷ > D8 57 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002C3B4EED640, 16 bytes long.
Data: <P Ù÷ > 50 04 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002C3B4EED1E0, 16 bytes long.
Data: <0 Ù÷ > 30 04 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002C3B4EEDD70, 16 bytes long.
Data: <à Ù÷ > E0 02 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002C3B4EEDB40, 16 bytes long.
Data: < Ù÷ > 10 04 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002C3B4EED7D0, 16 bytes long.
Data: <p Ù÷ > 70 04 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002C3B4EEDA00, 16 bytes long.
Data: < ÀŽÙ÷ > 18 C0 8E D9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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