Task 38605663
| Name | tnks2_A09_A15_r0_2-QUICO_ATM_GAFF2_NAGL_TNKS2-1-6-RND1396_0 |
| Workunit | 31559504 |
| Created | 13 Apr 2026, 23:43:13 UTC |
| Sent | 13 Apr 2026, 23:43:15 UTC |
| Report deadline | 18 Apr 2026, 23:43:15 UTC |
| Received | 14 Apr 2026, 1:29:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650482 |
| Run time | 1 hours 46 min 40 sec |
| CPU time | 1 hours 47 min 35 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 62,982.38 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 590.21 MB |
| Peak swap size | 13.11 GB |
| Peak disk usage | 2.94 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
01:43:50 (5172): wrapper (7.9.26016): starting
01:43:50 (5172): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A15_0.pdb
QB_A09_A15_0.xml
QB_A09_A15.inpcrd
QB_A09_A15_input.yaml
QB_A09_A15.pdb
QB_A09_A15.prmtop
QB_A09_A15_sys.xml
run.bat
run.sh
01:43:51 (5172): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:43:51 (5172): 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\6\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\6\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
03:29:38 (5172): C:/Windows/system32/cmd.exe exited; CPU time 6455.968750
03:29:38 (5172): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 86095285 bytes.
Dumping objects ->
{3835629} normal block at 0x000001BAE37E7560, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835618} normal block at 0x000001BAE37E74F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835607} normal block at 0x000001BAE37E7480, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835596} normal block at 0x000001BAE37E7410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835585} normal block at 0x000001BAE37E73A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835554} normal block at 0x000001BAE56885B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835543} normal block at 0x000001BAE569EDC0, 102 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) : {3835540} normal block at 0x000001BAE37DDE30, 8 bytes long.
Data: < Ý㺠> 00 00 DD E3 BA 01 00 00
{3834716} normal block at 0x000001BAE569F080, 102 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 0x000001BAE37DE510, 8 bytes long.
Data: <pçQåº > 70 E7 51 E5 BA 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001BAE37D1500, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BAE37D28A0, 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 0x000001BAE37E63A0, 16 bytes long.
Data: < ~㺠> 08 0E 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BAE37E6440, 16 bytes long.
Data: <à ~㺠> E0 0D 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BAE37E20F0, 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 0x000001BAE37E6300, 16 bytes long.
Data: <¸ ~㺠> B8 0D 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BAE37E6170, 16 bytes long.
Data: < ~㺠> 90 0D 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BAE37E60D0, 16 bytes long.
Data: <h ~㺠> 68 0D 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BAE37E65D0, 16 bytes long.
Data: <@ ~㺠> 40 0D 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BAE37E7330, 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 0x000001BAE37E6FD0, 16 bytes long.
Data: <X }㺠> 58 0E 7D E3 BA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BAE37E1970, 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 0x000001BAE37E6F30, 16 bytes long.
Data: <0 }㺠> 30 0E 7D E3 BA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BAE37E6530, 16 bytes long.
Data: < }㺠> 08 0E 7D E3 BA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BAE37E6EE0, 16 bytes long.
Data: <à }㺠> E0 0D 7D E3 BA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BAE37E6760, 16 bytes long.
Data: <¸ }㺠> B8 0D 7D E3 BA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BAE37E6260, 16 bytes long.
Data: < }㺠> 90 0D 7D E3 BA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BAE37E6F80, 16 bytes long.
Data: <h }㺠> 68 0D 7D E3 BA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BAE37E1610, 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 0x000001BAE37E6E90, 16 bytes long.
Data: <@ }㺠> 40 0D 7D E3 BA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BAE37D0D40, 320 bytes long.
Data: < n~㺠~㺠> 90 6E 7E E3 BA 01 00 00 10 16 7E E3 BA 01 00 00
{273} normal block at 0x000001BAE37E6490, 16 bytes long.
Data: < ~㺠> 20 0D 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BAE37E6E40, 16 bytes long.
Data: <ø ~㺠> F8 0C 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BAE37E1B50, 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 0x000001BAE37E64E0, 16 bytes long.
Data: <Р~㺠> D0 0C 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BAE37E13D0, 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 0x000001BAE37E68F0, 16 bytes long.
Data: < ~㺠> 18 0C 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BAE37E6D50, 16 bytes long.
Data: <ð ~㺠> F0 0B 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BAE37E6990, 16 bytes long.
Data: <È ~㺠> C8 0B 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BAE37E6DA0, 16 bytes long.
Data: <  ~㺠> A0 0B 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BAE37E6CB0, 16 bytes long.
Data: <x ~㺠> 78 0B 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BAE37E67B0, 16 bytes long.
Data: <P ~㺠> 50 0B 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BAE37E6350, 16 bytes long.
Data: <@È|㺠> 40 C8 7C E3 BA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BAE37CC840, 40 bytes long.
Data: <Pc~㺠°…håº > 50 63 7E E3 BA 01 00 00 B0 85 68 E5 BA 01 00 00
{259} normal block at 0x000001BAE37E6080, 16 bytes long.
Data: <0 ~㺠> 30 0B 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BAE37E6A80, 16 bytes long.
Data: < ~㺠> 08 0B 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BAE37E1D30, 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 0x000001BAE37E6210, 16 bytes long.
Data: <à ~㺠> E0 0A 7E E3 BA 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BAE37E0AE0, 992 bytes long.
Data: < b~㺠0 ~㺠> 10 62 7E E3 BA 01 00 00 30 1D 7E E3 BA 01 00 00
{91} normal block at 0x000001BAE37E14F0, 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 0x000001BAE37DEB00, 16 bytes long.
Data: < Ý|㺠> 90 DD 7C E3 BA 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001BAE37CDD90, 40 bytes long.
Data: < ë}㺠ð ~㺠> 00 EB 7D E3 BA 01 00 00 F0 14 7E E3 BA 01 00 00
{68} normal block at 0x000001BAE37DDDE0, 16 bytes long.
Data: < êlgö > 80 EA 6C 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BAE37DE240, 16 bytes long.
Data: <@élgö > 40 E9 6C 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BAE37DE470, 16 bytes long.
Data: <øWigö > F8 57 69 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BAE37DDFC0, 16 bytes long.
Data: <ØWigö > D8 57 69 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BAE37DDD40, 16 bytes long.
Data: <P igö > 50 04 69 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BAE37DE4C0, 16 bytes long.
Data: <0 igö > 30 04 69 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BAE37DE420, 16 bytes long.
Data: <à igö > E0 02 69 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BAE37DE5B0, 16 bytes long.
Data: < igö > 10 04 69 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BAE37DE290, 16 bytes long.
Data: <p igö > 70 04 69 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BAE37DE1A0, 16 bytes long.
Data: < Àggö > 18 C0 67 67 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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