Task 38629145
| Name | cdk8_A28_A09_r0_4-QUICO_ATM_OpenFF23_NAGL_cdk8-2-6-RND8664_0 |
| Workunit | 31578677 |
| Created | 25 Apr 2026, 1:24:51 UTC |
| Sent | 25 Apr 2026, 1:25:14 UTC |
| Report deadline | 30 Apr 2026, 1:25:14 UTC |
| Received | 25 Apr 2026, 21:56:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651854 |
| Run time | 10 hours 47 min 22 sec |
| CPU time | 10 hours 47 min 22 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 11,617.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 948.77 MB |
| Peak swap size | 7.24 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:15:48 (22776): wrapper (7.9.26016): starting
13:15:48 (22776): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A09_0.pdb
QB_A28_A09_0.xml
QB_A28_A09.inpcrd
QB_A28_A09_input.yaml
QB_A28_A09.pdb
QB_A28_A09.prmtop
QB_A28_A09_sys.xml
run.bat
run.sh
13:15:50 (22776): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:15:50 (22776): 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
23:55:21 (22776): C:/Windows/system32/cmd.exe exited; CPU time 38842.406250
23:55:21 (22776): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 479612365 bytes.
Dumping objects ->
{3835364} normal block at 0x0000021E93B7CFC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835353} normal block at 0x0000021E91DF5590, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835342} normal block at 0x0000021E91DF5440, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835331} normal block at 0x0000021E91DF53D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835320} normal block at 0x0000021E91DF51A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835289} normal block at 0x0000021E93BC5FF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835276} normal block at 0x0000021E91DEDA30, 8 bytes long.
Data: < +’ > 00 00 2B 92 1E 02 00 00
{3833961} normal block at 0x0000021E91DED7B0, 8 bytes long.
Data: < ÙÝ‘ > 20 D9 DD 91 1E 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021E91DE10E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021E91DE2560, 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 0x0000021E91DF6730, 16 bytes long.
Data: <Ønß‘ > D8 6E DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021E91DF5E70, 16 bytes long.
Data: <°nß‘ > B0 6E DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021E91DEF790, 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 0x0000021E91DF6500, 16 bytes long.
Data: < nß‘ > 88 6E DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021E91DF5BF0, 16 bytes long.
Data: <`nß‘ > 60 6E DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021E91DF6B40, 16 bytes long.
Data: <8nß‘ > 38 6E DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021E91DF5DD0, 16 bytes long.
Data: < nß‘ > 10 6E DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021E91DF5600, 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 0x0000021E91DF6460, 16 bytes long.
Data: < ôÝ‘ > 88 F4 DD 91 1E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021E91DF0150, 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 0x0000021E91DF6410, 16 bytes long.
Data: <`ôÝ‘ > 60 F4 DD 91 1E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021E91DF65A0, 16 bytes long.
Data: <8ôÝ‘ > 38 F4 DD 91 1E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021E91DF5D30, 16 bytes long.
Data: < ôÝ‘ > 10 F4 DD 91 1E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021E91DF6050, 16 bytes long.
Data: <èóÝ‘ > E8 F3 DD 91 1E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021E91DF6A50, 16 bytes long.
Data: <ÀóÝ‘ > C0 F3 DD 91 1E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021E91DF6A00, 16 bytes long.
Data: < óÝ‘ > 98 F3 DD 91 1E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021E91DF01B0, 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 0x0000021E91DF66E0, 16 bytes long.
Data: <póÝ‘ > 70 F3 DD 91 1E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021E91DDF370, 320 bytes long.
Data: <àfß‘ ° ß‘ > E0 66 DF 91 1E 02 00 00 B0 01 DF 91 1E 02 00 00
{276} normal block at 0x0000021E91DF5FB0, 16 bytes long.
Data: <ðmß‘ > F0 6D DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021E91DF5F10, 16 bytes long.
Data: <Èmß‘ > C8 6D DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021E91DF00F0, 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 0x0000021E91DF65F0, 16 bytes long.
Data: < mß‘ > A0 6D DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021E91DF0330, 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 0x0000021E91DF6370, 16 bytes long.
Data: <èlß‘ > E8 6C DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021E91DF5C90, 16 bytes long.
Data: <Àlß‘ > C0 6C DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021E91DF69B0, 16 bytes long.
Data: < lß‘ > 98 6C DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021E91DF6AF0, 16 bytes long.
Data: <plß‘ > 70 6C DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021E91DF62D0, 16 bytes long.
Data: <Hlß‘ > 48 6C DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021E91DF5E20, 16 bytes long.
Data: < lß‘ > 20 6C DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021E91DF5C40, 16 bytes long.
Data: <0Qß‘ > 30 51 DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021E91DF5130, 40 bytes long.
Data: <@\ß‘ ð_¼“ > 40 5C DF 91 1E 02 00 00 F0 5F BC 93 1E 02 00 00
{262} normal block at 0x0000021E91DF6550, 16 bytes long.
Data: < lß‘ > 00 6C DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021E91DF63C0, 16 bytes long.
Data: <Økß‘ > D8 6B DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021E91DEFA30, 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 0x0000021E91DF5D80, 16 bytes long.
Data: <°kß‘ > B0 6B DF 91 1E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021E91DF6BB0, 992 bytes long.
Data: < ]ß‘ 0úÞ‘ > 80 5D DF 91 1E 02 00 00 30 FA DE 91 1E 02 00 00
{94} normal block at 0x0000021E91DEFDF0, 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 0x0000021E91DED490, 16 bytes long.
Data: < ÔÝ‘ > 80 D4 DD 91 1E 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000021E91DDD480, 40 bytes long.
Data: < ÔÞ‘ ðýÞ‘ > 90 D4 DE 91 1E 02 00 00 F0 FD DE 91 1E 02 00 00
{71} normal block at 0x0000021E91DED760, 16 bytes long.
Data: < ê 8ö > 80 EA 08 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021E91DEDCB0, 16 bytes long.
Data: <@é 8ö > 40 E9 08 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021E91DED620, 16 bytes long.
Data: <øW 8ö > F8 57 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021E91DED710, 16 bytes long.
Data: <ØW 8ö > D8 57 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021E91DED4E0, 16 bytes long.
Data: <P 8ö > 50 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021E91DEDC60, 16 bytes long.
Data: <0 8ö > 30 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021E91DEDBC0, 16 bytes long.
Data: <à 8ö > E0 02 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021E91DEDAD0, 16 bytes long.
Data: < 8ö > 10 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021E91DEDB20, 16 bytes long.
Data: <p 8ö > 70 04 05 38 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021E91DED440, 16 bytes long.
Data: < À 8ö > 18 C0 03 38 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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