Task 38607026
| Name | hif2a_A17_A16_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a-0-6-RND0041_2 |
| Workunit | 31560341 |
| Created | 14 Apr 2026, 8:30:32 UTC |
| Sent | 14 Apr 2026, 8:31:02 UTC |
| Report deadline | 19 Apr 2026, 8:31:02 UTC |
| Received | 14 Apr 2026, 15:20:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630817 |
| Run time | 3 hours 54 min 57 sec |
| CPU time | 3 hours 54 min 57 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 13,450.96 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 504.43 MB |
| Peak swap size | 24.58 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:57:40 (7584): wrapper (7.9.26016): starting
14:57:40 (7584): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A16_0.pdb
QB_A17_A16_0.xml
QB_A17_A16.inpcrd
QB_A17_A16_input.yaml
QB_A17_A16.pdb
QB_A17_A16.prmtop
QB_A17_A16_sys.xml
run.bat
run.sh
14:57:42 (7584): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:57:42 (7584): 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\66\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\66\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
18:20:29 (7584): C:/Windows/system32/cmd.exe exited; CPU time 14097.187500
18:20:29 (7584): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 167745207 bytes.
Dumping objects ->
{3835311} normal block at 0x00000275FE490920, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835300} normal block at 0x00000275FE490DF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835289} normal block at 0x00000275FE4913A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835278} normal block at 0x00000275FE491410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x00000275FE4916B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835236} normal block at 0x00000275FE53A400, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x00000275FE5E0D00, 180 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) : {3835222} normal block at 0x00000275FC7F7D10, 8 bytes long.
Data: < oüu > 00 00 6F FC 75 02 00 00
{3834576} normal block at 0x00000275FE5E0FD0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x00000275FC7F7F40, 8 bytes long.
Data: <‡Yþu > 90 87 59 FE 75 02 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000275FC800D30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000275FC7E5A30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x00000275FC8029A0, 16 bytes long.
Data: <h3۟u > 68 33 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000275FC802950, 16 bytes long.
Data: <@3۟u > 40 33 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000275FC7FD440, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x00000275FC802900, 16 bytes long.
Data: < 3۟u > 18 33 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000275FC802400, 16 bytes long.
Data: <ð2€üu > F0 32 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000275FC801DC0, 16 bytes long.
Data: <È2€üu > C8 32 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000275FC801D20, 16 bytes long.
Data: < 2€üu > A0 32 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000275FC7FC500, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x00000275FC802540, 16 bytes long.
Data: < «~üu > 98 AB 7E FC 75 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000275FC7FDCE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x00000275FC802040, 16 bytes long.
Data: <p«~üu > 70 AB 7E FC 75 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000275FC802A90, 16 bytes long.
Data: <H«~üu > 48 AB 7E FC 75 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000275FC801EB0, 16 bytes long.
Data: < «~üu > 20 AB 7E FC 75 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000275FC8028B0, 16 bytes long.
Data: <øª~üu > F8 AA 7E FC 75 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000275FC802360, 16 bytes long.
Data: <Ъ~üu > D0 AA 7E FC 75 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000275FC801C80, 16 bytes long.
Data: <¨ª~üu > A8 AA 7E FC 75 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000275FC7FD500, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x00000275FC802310, 16 bytes long.
Data: <€ª~üu > 80 AA 7E FC 75 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000275FC7EAA80, 320 bytes long.
Data: < #€üu Õ üu > 10 23 80 FC 75 02 00 00 00 D5 7F FC 75 02 00 00
{267} normal block at 0x00000275FC802810, 16 bytes long.
Data: <€2€üu > 80 32 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000275FC802B80, 16 bytes long.
Data: <X2۟u > 58 32 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000275FC7FDBC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x00000275FC801E60, 16 bytes long.
Data: <02۟u > 30 32 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000275FC7FDC80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x00000275FC802BD0, 16 bytes long.
Data: <x1۟u > 78 31 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000275FC802180, 16 bytes long.
Data: <P1۟u > 50 31 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000275FC8023B0, 16 bytes long.
Data: <(1۟u > 28 31 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000275FC8025E0, 16 bytes long.
Data: < 1۟u > 00 31 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000275FC801E10, 16 bytes long.
Data: <Ø0€üu > D8 30 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000275FC801CD0, 16 bytes long.
Data: <°0€üu > B0 30 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000275FC802860, 16 bytes long.
Data: < Á üu > 10 C1 7F FC 75 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000275FC7FC110, 40 bytes long.
Data: <`(€üu ¤Sþu > 60 28 80 FC 75 02 00 00 00 A4 53 FE 75 02 00 00
{253} normal block at 0x00000275FC8027C0, 16 bytes long.
Data: <0€üu > 90 30 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000275FC802720, 16 bytes long.
Data: <h0۟u > 68 30 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000275FC7FE0A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x00000275FC8022C0, 16 bytes long.
Data: <@0۟u > 40 30 80 FC 75 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x00000275FC803040, 992 bytes long.
Data: <À"€üu  à üu > C0 22 80 FC 75 02 00 00 A0 E0 7F FC 75 02 00 00
{85} normal block at 0x00000275FC7FDE60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x00000275FC7F81C0, 16 bytes long.
Data: <PÆ üu > 50 C6 7F FC 75 02 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000275FC7FC650, 40 bytes long.
Data: <À üu `Þ üu > C0 81 7F FC 75 02 00 00 60 DE 7F FC 75 02 00 00
{62} normal block at 0x00000275FC7F8120, 16 bytes long.
Data: <€ê•Õ÷ > 80 EA 95 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000275FC7F75E0, 16 bytes long.
Data: <@é•Õ÷ > 40 E9 95 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000275FC7F7590, 16 bytes long.
Data: <øW’Õ÷ > F8 57 92 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000275FC7F74A0, 16 bytes long.
Data: <ØW’Õ÷ > D8 57 92 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000275FC7F7A40, 16 bytes long.
Data: <P ’Õ÷ > 50 04 92 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000275FC7F7B80, 16 bytes long.
Data: <0 ’Õ÷ > 30 04 92 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000275FC7F7770, 16 bytes long.
Data: <à ’Õ÷ > E0 02 92 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000275FC7F8170, 16 bytes long.
Data: < ’Õ÷ > 10 04 92 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000275FC7F8030, 16 bytes long.
Data: <p ’Õ÷ > 70 04 92 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x00000275FC7F7E50, 16 bytes long.
Data: < ÀÕ÷ > 18 C0 90 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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