Task 38628691
| Name | cdk8_A16_A15_r0_5-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND2457_4 |
| Workunit | 31577305 |
| Created | 24 Apr 2026, 21:01:23 UTC |
| Sent | 24 Apr 2026, 21:01:24 UTC |
| Report deadline | 29 Apr 2026, 21:01:24 UTC |
| Received | 25 Apr 2026, 5:39:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 611060 |
| Run time | 3 hours 42 min 15 sec |
| CPU time | 3 hours 34 min 16 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 82,583.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 1,000.50 MB |
| Peak swap size | 13.59 GB |
| Peak disk usage | 3.18 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
18:57:53 (129184): wrapper (7.9.26016): starting
18:57:53 (129184): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A15_0.pdb
QB_A16_A15_0.xml
QB_A16_A15.inpcrd
QB_A16_A15_input.yaml
QB_A16_A15.pdb
QB_A16_A15.prmtop
QB_A16_A15_sys.xml
run.bat
run.sh
18:57:54 (129184): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:57:54 (129184): 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
22:39:24 (129184): C:/Windows/system32/cmd.exe exited; CPU time 12856.375000
22:39:24 (129184): 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: 266145557 bytes.
Dumping objects ->
{3835510} normal block at 0x0000022EDDFD0610, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835499} normal block at 0x0000022EDDFD0530, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835488} normal block at 0x0000022EDDFD0450, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835477} normal block at 0x0000022EDDFD03E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835466} normal block at 0x0000022EDDFD07D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835435} normal block at 0x0000022EDFC37660, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835424} normal block at 0x0000022EDFC4E3A0, 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) : {3835421} normal block at 0x0000022EDDFCDCA0, 8 bytes long.
Data: < “ß. > 00 00 93 DF 2E 02 00 00
{3834680} normal block at 0x0000022EDFC4E2F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000022EDDFCD2A0, 8 bytes long.
Data: < ØûÝ. > 20 D8 FB DD 2E 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022EDDFC0990, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022EDDFC22A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000022EDDFD5980, 16 bytes long.
Data: <¸gýÝ. > B8 67 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022EDDFD6010, 16 bytes long.
Data: < gýÝ. > 90 67 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022EDDFD0C40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000022EDDFD5FC0, 16 bytes long.
Data: <hgýÝ. > 68 67 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022EDDFD60B0, 16 bytes long.
Data: <@gýÝ. > 40 67 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022EDDFD61F0, 16 bytes long.
Data: < gýÝ. > 18 67 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022EDDFD5B10, 16 bytes long.
Data: <ðfýÝ. > F0 66 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022EDDFD0920, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000022EDDFD5930, 16 bytes long.
Data: <X üÝ. > 58 08 FC DD 2E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022EDDFD0E80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000022EDDFD5700, 16 bytes long.
Data: <0 üÝ. > 30 08 FC DD 2E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022EDDFD5610, 16 bytes long.
Data: < üÝ. > 08 08 FC DD 2E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022EDDFD5D40, 16 bytes long.
Data: <à üÝ. > E0 07 FC DD 2E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022EDDFD56B0, 16 bytes long.
Data: <¸ üÝ. > B8 07 FC DD 2E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022EDDFD5BB0, 16 bytes long.
Data: < üÝ. > 90 07 FC DD 2E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022EDDFD6290, 16 bytes long.
Data: <h üÝ. > 68 07 FC DD 2E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022EDDFD1720, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000022EDDFD61A0, 16 bytes long.
Data: <@ üÝ. > 40 07 FC DD 2E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022EDDFC0740, 320 bytes long.
Data: < aýÝ. ýÝ. > A0 61 FD DD 2E 02 00 00 20 17 FD DD 2E 02 00 00
{276} normal block at 0x0000022EDDFD5D90, 16 bytes long.
Data: <ÐfýÝ. > D0 66 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022EDDFD5F70, 16 bytes long.
Data: <¨fýÝ. > A8 66 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022EDDFD1240, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000022EDDFD55C0, 16 bytes long.
Data: < fýÝ. > 80 66 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022EDDFD1120, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000022EDDFD5E80, 16 bytes long.
Data: <ÈeýÝ. > C8 65 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022EDDFD5ED0, 16 bytes long.
Data: < eýÝ. > A0 65 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022EDDFD57F0, 16 bytes long.
Data: <xeýÝ. > 78 65 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022EDDFD5A70, 16 bytes long.
Data: <PeýÝ. > 50 65 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022EDDFD57A0, 16 bytes long.
Data: <(eýÝ. > 28 65 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022EDDFD5750, 16 bytes long.
Data: < eýÝ. > 00 65 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022EDDFD5890, 16 bytes long.
Data: <  ýÝ. > A0 05 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022EDDFD05A0, 40 bytes long.
Data: < XýÝ. `vÃß. > 90 58 FD DD 2E 02 00 00 60 76 C3 DF 2E 02 00 00
{262} normal block at 0x0000022EDDFD5AC0, 16 bytes long.
Data: <àdýÝ. > E0 64 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022EDDFD59D0, 16 bytes long.
Data: <¸dýÝ. > B8 64 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022EDDFD10C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000022EDDFD6240, 16 bytes long.
Data: < dýÝ. > 90 64 FD DD 2E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022EDDFD6490, 992 bytes long.
Data: <@býÝ. À ýÝ. > 40 62 FD DD 2E 02 00 00 C0 10 FD DD 2E 02 00 00
{94} normal block at 0x0000022EDDFD18A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000022EDDFCDCF0, 16 bytes long.
Data: <°äûÝ. > B0 E4 FB DD 2E 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000022EDDFBE4B0, 40 bytes long.
Data: <ðÜüÝ.   ýÝ. > F0 DC FC DD 2E 02 00 00 A0 18 FD DD 2E 02 00 00
{71} normal block at 0x0000022EDDFCDC00, 16 bytes long.
Data: < êø–ö > 80 EA F8 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022EDDFCD430, 16 bytes long.
Data: <@éø–ö > 40 E9 F8 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022EDDFCDBB0, 16 bytes long.
Data: <øWõ–ö > F8 57 F5 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022EDDFCDAC0, 16 bytes long.
Data: <ØWõ–ö > D8 57 F5 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022EDDFCDB60, 16 bytes long.
Data: <P õ–ö > 50 04 F5 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022EDDFCD7A0, 16 bytes long.
Data: <0 õ–ö > 30 04 F5 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022EDDFCD6B0, 16 bytes long.
Data: <à õ–ö > E0 02 F5 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022EDDFCD4D0, 16 bytes long.
Data: < õ–ö > 10 04 F5 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022EDDFCD340, 16 bytes long.
Data: <p õ–ö > 70 04 F5 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022EDDFCD200, 16 bytes long.
Data: < Àó–ö > 18 C0 F3 96 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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