Task 38622591
| Name | CDK2_A09_A01_r0_1-QUICO_ATM_GAFF2_NAGL_CDK2-4-6-RND4584_2 |
| Workunit | 31564222 |
| Created | 20 Apr 2026, 20:05:15 UTC |
| Sent | 20 Apr 2026, 20:05:22 UTC |
| Report deadline | 25 Apr 2026, 20:05:22 UTC |
| Received | 22 Apr 2026, 15:10:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 400693 |
| Run time | 18 hours 3 min 47 sec |
| CPU time | 17 hours 34 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 4,172.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.66 MB |
| Peak swap size | 3.81 GB |
| Peak disk usage | 3.14 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:09:23 (11124): wrapper (7.9.26016): starting
23:09:23 (11124): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A01_0.pdb
QB_A09_A01_0.xml
QB_A09_A01.inpcrd
QB_A09_A01_input.yaml
QB_A09_A01.pdb
QB_A09_A01.prmtop
QB_A09_A01_sys.xml
run.bat
run.sh
23:09:29 (11124): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:09:29 (11124): 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\0\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\0\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
17:08:47 (11124): C:/Windows/system32/cmd.exe exited; CPU time 63260.359375
17:08:47 (11124): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 779145287 bytes.
Dumping objects ->
{3835132} normal block at 0x000001C3DC8A13D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835121} normal block at 0x000001C3DC8A0FE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835110} normal block at 0x000001C3DC8A1280, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835099} normal block at 0x000001C3DC8A0B80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835088} normal block at 0x000001C3DC8A16E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835057} normal block at 0x000001C3DC994390, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835046} normal block at 0x000001C3DAF7CB20, 145 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) : {3835043} normal block at 0x000001C3DAF271C0, 8 bytes long.
Data: < ëÚÃ > 00 00 EB DA C3 01 00 00
{3834495} normal block at 0x000001C3DAF7CE60, 145 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 0x000001C3DAF27170, 8 bytes long.
Data: <°#ŸÜÃ > B0 23 9F DC C3 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001C3DAF318C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C3DAF160D0, 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 0x000001C3DAF32D60, 16 bytes long.
Data: <ø>óÚÃ > F8 3E F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C3DAF334E0, 16 bytes long.
Data: <Ð>óÚÃ > D0 3E F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C3DAF2C240, 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 0x000001C3DAF33440, 16 bytes long.
Data: <¨>óÚÃ > A8 3E F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C3DAF33350, 16 bytes long.
Data: < >óÚÃ > 80 3E F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C3DAF33300, 16 bytes long.
Data: <X>óÚÃ > 58 3E F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C3DAF32D10, 16 bytes long.
Data: <0>óÚÃ > 30 3E F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C3DAF2DC80, 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 0x000001C3DAF32CC0, 16 bytes long.
Data: <h`ñÚÃ > 68 60 F1 DA C3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C3DAF2C000, 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 0x000001C3DAF32C20, 16 bytes long.
Data: <@`ñÚÃ > 40 60 F1 DA C3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C3DAF32950, 16 bytes long.
Data: < `ñÚÃ > 18 60 F1 DA C3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C3DAF33080, 16 bytes long.
Data: <ð_ñÚÃ > F0 5F F1 DA C3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C3DAF32BD0, 16 bytes long.
Data: <È_ñÚÃ > C8 5F F1 DA C3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C3DAF33260, 16 bytes long.
Data: < _ñÚÃ > A0 5F F1 DA C3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C3DAF32A40, 16 bytes long.
Data: <x_ñÚÃ > 78 5F F1 DA C3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C3DAF2BA60, 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 0x000001C3DAF32F40, 16 bytes long.
Data: <P_ñÚÃ > 50 5F F1 DA C3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C3DAF15F50, 320 bytes long.
Data: <@/óÚÃ `ºòÚÃ > 40 2F F3 DA C3 01 00 00 60 BA F2 DA C3 01 00 00
{273} normal block at 0x000001C3DAF32860, 16 bytes long.
Data: < >óÚÃ > 10 3E F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C3DAF329F0, 16 bytes long.
Data: <è=óÚÃ > E8 3D F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C3DAF2B820, 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 0x000001C3DAF33670, 16 bytes long.
Data: <À=óÚÃ > C0 3D F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C3DAF2C060, 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 0x000001C3DAF332B0, 16 bytes long.
Data: < =óÚÃ > 08 3D F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C3DAF32DB0, 16 bytes long.
Data: <à<óÚÃ > E0 3C F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C3DAF32B80, 16 bytes long.
Data: <¸<óÚÃ > B8 3C F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C3DAF33120, 16 bytes long.
Data: < <óÚÃ > 90 3C F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C3DAF33760, 16 bytes long.
Data: <h<óÚÃ > 68 3C F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C3DAF33620, 16 bytes long.
Data: <@<óÚÃ > 40 3C F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C3DAF32A90, 16 bytes long.
Data: < ÜòÚÃ > 10 DC F2 DA C3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C3DAF2DC10, 40 bytes long.
Data: < *óÚÃ C ÜÃ > 90 2A F3 DA C3 01 00 00 90 43 99 DC C3 01 00 00
{259} normal block at 0x000001C3DAF33490, 16 bytes long.
Data: < <óÚÃ > 20 3C F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C3DAF333A0, 16 bytes long.
Data: <ø;óÚÃ > F8 3B F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C3DAF2B7C0, 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 0x000001C3DAF32EF0, 16 bytes long.
Data: <Ð;óÚÃ > D0 3B F3 DA C3 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C3DAF33BD0, 992 bytes long.
Data: <ð.óÚÃ À·òÚÃ > F0 2E F3 DA C3 01 00 00 C0 B7 F2 DA C3 01 00 00
{91} normal block at 0x000001C3DAF2BE20, 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 0x000001C3DAF27120, 16 bytes long.
Data: <°×òÚÃ > B0 D7 F2 DA C3 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001C3DAF2D7B0, 40 bytes long.
Data: < qòÚÃ ¾òÚÃ > 20 71 F2 DA C3 01 00 00 20 BE F2 DA C3 01 00 00
{68} normal block at 0x000001C3DAF276C0, 16 bytes long.
Data: < ê i÷ > 80 EA 09 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C3DAF277B0, 16 bytes long.
Data: <@é i÷ > 40 E9 09 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C3DAF26DB0, 16 bytes long.
Data: <øW i÷ > F8 57 06 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C3DAF27710, 16 bytes long.
Data: <ØW i÷ > D8 57 06 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C3DAF26D10, 16 bytes long.
Data: <P i÷ > 50 04 06 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C3DAF26900, 16 bytes long.
Data: <0 i÷ > 30 04 06 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C3DAF27490, 16 bytes long.
Data: <à i÷ > E0 02 06 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C3DAF26FE0, 16 bytes long.
Data: < i÷ > 10 04 06 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C3DAF26F90, 16 bytes long.
Data: <p i÷ > 70 04 06 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C3DAF27350, 16 bytes long.
Data: < À i÷ > 18 C0 04 69 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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