Task 38607855
| Name | PTP1B_A10_A15_r0_3-QUICO_ATM_GAFF2_NAGL_PTP1B-3-6-RND0676_0 |
| Workunit | 31561288 |
| Created | 14 Apr 2026, 14:15:22 UTC |
| Sent | 14 Apr 2026, 14:15:32 UTC |
| Report deadline | 19 Apr 2026, 14:15:32 UTC |
| Received | 14 Apr 2026, 18:24:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 582876 |
| Run time | 3 hours 47 min 10 sec |
| CPU time | 3 hours 46 min 46 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 33,169.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 589.88 MB |
| Peak swap size | 8.27 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:38:02 (21900): wrapper (7.9.26016): starting
16:38:02 (21900): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A15_0.pdb
QB_A10_A15_0.xml
QB_A10_A15.inpcrd
QB_A10_A15_input.yaml
QB_A10_A15.pdb
QB_A10_A15.prmtop
QB_A10_A15_sys.xml
run.bat
run.sh
16:38:03 (21900): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:38:03 (21900): 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 'D:\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 'D:\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
20:23:05 (21900): C:/Windows/system32/cmd.exe exited; CPU time 13606.250000
20:23:05 (21900): 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: 221171671 bytes.
Dumping objects ->
{3835230} normal block at 0x00000174B2340EF0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x00000174B23409B0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x00000174B23406A0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835197} normal block at 0x00000174B2340BE0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x00000174B2340B70, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835155} normal block at 0x00000174B236CF50, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835144} normal block at 0x00000174B23CEB90, 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) : {3835141} normal block at 0x00000174B067CF30, 8 bytes long.
Data: < a°t > 00 00 61 B0 74 01 00 00
{3834541} normal block at 0x00000174B23CE8D0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833960} normal block at 0x00000174B067D700, 8 bytes long.
Data: < §j°t > 00 A7 6A B0 74 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000174B0670FC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000174B0671EB0, 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 0x00000174B0685670, 16 bytes long.
Data: <¸ch°t > B8 63 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000174B06851C0, 16 bytes long.
Data: < ch°t > 90 63 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000174B067F200, 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 0x00000174B0685800, 16 bytes long.
Data: <hch°t > 68 63 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000174B06857B0, 16 bytes long.
Data: <@ch°t > 40 63 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000174B0685120, 16 bytes long.
Data: < ch°t > 18 63 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000174B0685620, 16 bytes long.
Data: <ðbh°t > F0 62 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000174B0680EB0, 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 0x00000174B06858F0, 16 bytes long.
Data: <H g°t > 48 03 67 B0 74 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000174B067F4A0, 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 0x00000174B0685530, 16 bytes long.
Data: < g°t > 20 03 67 B0 74 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000174B06850D0, 16 bytes long.
Data: <ø g°t > F8 02 67 B0 74 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000174B0685B20, 16 bytes long.
Data: <Ð g°t > D0 02 67 B0 74 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000174B0685E40, 16 bytes long.
Data: <¨ g°t > A8 02 67 B0 74 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000174B0686020, 16 bytes long.
Data: < g°t > 80 02 67 B0 74 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000174B0685F30, 16 bytes long.
Data: <X g°t > 58 02 67 B0 74 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000174B067F3E0, 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 0x00000174B0685D00, 16 bytes long.
Data: <0 g°t > 30 02 67 B0 74 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000174B0670230, 320 bytes long.
Data: < ]h°t àóg°t > 00 5D 68 B0 74 01 00 00 E0 F3 67 B0 74 01 00 00
{273} normal block at 0x00000174B06853A0, 16 bytes long.
Data: <Ðbh°t > D0 62 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000174B06858A0, 16 bytes long.
Data: <¨bh°t > A8 62 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000174B067FAA0, 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 0x00000174B0685A80, 16 bytes long.
Data: < bh°t > 80 62 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000174B067F2C0, 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 0x00000174B0685FD0, 16 bytes long.
Data: <Èah°t > C8 61 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000174B0685300, 16 bytes long.
Data: < ah°t > A0 61 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000174B0685A30, 16 bytes long.
Data: <xah°t > 78 61 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000174B0685350, 16 bytes long.
Data: <Pah°t > 50 61 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000174B06855D0, 16 bytes long.
Data: <(ah°t > 28 61 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000174B0685580, 16 bytes long.
Data: < ah°t > 00 61 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000174B0685F80, 16 bytes long.
Data: <p h°t > 70 10 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000174B0681070, 40 bytes long.
Data: < _h°t PÏ6²t > 80 5F 68 B0 74 01 00 00 50 CF 36 B2 74 01 00 00
{259} normal block at 0x00000174B0685EE0, 16 bytes long.
Data: <à`h°t > E0 60 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000174B06852B0, 16 bytes long.
Data: <¸`h°t > B8 60 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000174B067F7A0, 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 0x00000174B0685760, 16 bytes long.
Data: < `h°t > 90 60 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000174B0686090, 992 bytes long.
Data: <`Wh°t  ÷g°t > 60 57 68 B0 74 01 00 00 A0 F7 67 B0 74 01 00 00
{91} normal block at 0x00000174B067FCE0, 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 0x00000174B067D480, 16 bytes long.
Data: <  h°t > A0 0B 68 B0 74 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000174B0680BA0, 40 bytes long.
Data: < Ôg°t àüg°t > 80 D4 67 B0 74 01 00 00 E0 FC 67 B0 74 01 00 00
{68} normal block at 0x00000174B067D3E0, 16 bytes long.
Data: < ê ö > 80 EA 99 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000174B067D7A0, 16 bytes long.
Data: <@é ö > 40 E9 99 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000174B067D610, 16 bytes long.
Data: <øW– ö > F8 57 96 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000174B067CEE0, 16 bytes long.
Data: <ØW– ö > D8 57 96 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000174B067DAC0, 16 bytes long.
Data: <P – ö > 50 04 96 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000174B067CE40, 16 bytes long.
Data: <0 – ö > 30 04 96 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000174B067D5C0, 16 bytes long.
Data: <à – ö > E0 02 96 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000174B067CE90, 16 bytes long.
Data: < – ö > 10 04 96 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000174B067D110, 16 bytes long.
Data: <p – ö > 70 04 96 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000174B067D0C0, 16 bytes long.
Data: < À” ö > 18 C0 94 1A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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