Task 38607460
| Name | hif2a_A37_A07_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a-1-6-RND6988_0 |
| Workunit | 31560949 |
| Created | 14 Apr 2026, 10:51:26 UTC |
| Sent | 14 Apr 2026, 10:51:32 UTC |
| Report deadline | 19 Apr 2026, 10:51:32 UTC |
| Received | 14 Apr 2026, 18:26:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 626176 |
| Run time | 6 hours 58 min 38 sec |
| CPU time | 6 hours 42 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 3,940.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 398.43 MB |
| Peak swap size | 3.36 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:00:08 (16948): wrapper (7.9.26016): starting
04:00:08 (16948): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A07_0.pdb
QB_A37_A07_0.xml
QB_A37_A07.inpcrd
QB_A37_A07_input.yaml
QB_A37_A07.pdb
QB_A37_A07.prmtop
QB_A37_A07_sys.xml
run.bat
run.sh
04:00:10 (16948): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:00:10 (16948): 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:\ProgramData1\slots\10\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:\ProgramData1\slots\10\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
11:25:22 (16948): C:/Windows/system32/cmd.exe exited; CPU time 24123.953125
11:25:22 (16948): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 339822377 bytes.
Dumping objects ->
{3835219} normal block at 0x0000022665918B40, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x00000226675E3380, 32 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x00000226675E3320, 32 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835186} normal block at 0x00000226675E3C20, 32 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x00000226675E3F20, 32 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835144} normal block at 0x0000022665918520, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x0000022665963140, 140 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) : {3835130} normal block at 0x000002266590E2B0, 8 bytes long.
Data: < e& > 00 00 8D 65 26 02 00 00
{3834531} normal block at 0x0000022665962ED0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x000002266590D770, 8 bytes long.
Data: < m_g& > 90 6D 5F 67 26 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000022665904AE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022665905950, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000022665919AA0, 16 bytes long.
Data: <  ‘e& > 18 A0 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000226659190A0, 16 bytes long.
Data: <ðŸ‘e& > F0 9F 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000226659141E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000226659193C0, 16 bytes long.
Data: <ÈŸ‘e& > C8 9F 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000226659199B0, 16 bytes long.
Data: < Ÿ‘e& > A0 9F 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022665919050, 16 bytes long.
Data: <xŸ‘e& > 78 9F 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022665919910, 16 bytes long.
Data: <PŸ‘e& > 50 9F 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000226659188A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000022665919C30, 16 bytes long.
Data: <x9 e& > 78 39 90 65 26 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022665914780, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000022665919870, 16 bytes long.
Data: <P9 e& > 50 39 90 65 26 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022665919BE0, 16 bytes long.
Data: <(9 e& > 28 39 90 65 26 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022665919730, 16 bytes long.
Data: < 9 e& > 00 39 90 65 26 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000226659190F0, 16 bytes long.
Data: <Ø8 e& > D8 38 90 65 26 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022665919A00, 16 bytes long.
Data: <°8 e& > B0 38 90 65 26 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000226659195F0, 16 bytes long.
Data: < 8 e& > 88 38 90 65 26 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022665914D80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000022665919960, 16 bytes long.
Data: <`8 e& > 60 38 90 65 26 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022665903860, 320 bytes long.
Data: <` ‘e& M‘e& > 60 99 91 65 26 02 00 00 80 4D 91 65 26 02 00 00
{272} normal block at 0x00000226659198C0, 16 bytes long.
Data: <0Ÿ‘e& > 30 9F 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022665919820, 16 bytes long.
Data: < Ÿ‘e& > 08 9F 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022665914420, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000022665919280, 16 bytes long.
Data: <àž‘e& > E0 9E 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000226659143C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000022665919140, 16 bytes long.
Data: <(ž‘e& > 28 9E 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022665919B40, 16 bytes long.
Data: < ž‘e& > 00 9E 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022665918EC0, 16 bytes long.
Data: <Ø ‘e& > D8 9D 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000226659196E0, 16 bytes long.
Data: <° ‘e& > B0 9D 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000226659194B0, 16 bytes long.
Data: < ‘e& > 88 9D 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022665919640, 16 bytes long.
Data: <` ‘e& > 60 9D 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022665919690, 16 bytes long.
Data: <p†‘e& > 70 86 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022665918670, 40 bytes long.
Data: < –‘e& …‘e& > 90 96 91 65 26 02 00 00 20 85 91 65 26 02 00 00
{258} normal block at 0x00000226659192D0, 16 bytes long.
Data: <@ ‘e& > 40 9D 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000226659195A0, 16 bytes long.
Data: < ‘e& > 18 9D 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000226659148A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000226659197D0, 16 bytes long.
Data: <ðœ‘e& > F0 9C 91 65 26 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000022665919CF0, 992 bytes long.
Data: <З‘e&  H‘e& > D0 97 91 65 26 02 00 00 A0 48 91 65 26 02 00 00
{90} normal block at 0x0000022665914300, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000002266590E210, 16 bytes long.
Data: < @ e& > 00 40 90 65 26 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000022665904000, 40 bytes long.
Data: < â e& C‘e& > 10 E2 90 65 26 02 00 00 00 43 91 65 26 02 00 00
{67} normal block at 0x000002266590DEF0, 16 bytes long.
Data: < ê#_ö > 80 EA 23 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002266590DE50, 16 bytes long.
Data: <@é#_ö > 40 E9 23 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002266590D9F0, 16 bytes long.
Data: <øW _ö > F8 57 20 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002266590D630, 16 bytes long.
Data: <ØW _ö > D8 57 20 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002266590E120, 16 bytes long.
Data: <P _ö > 50 04 20 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002266590DD10, 16 bytes long.
Data: <0 _ö > 30 04 20 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002266590D4F0, 16 bytes long.
Data: <à _ö > E0 02 20 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002266590D5E0, 16 bytes long.
Data: < _ö > 10 04 20 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002266590DAE0, 16 bytes long.
Data: <p _ö > 70 04 20 5F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002266590DFE0, 16 bytes long.
Data: < À _ö > 18 C0 1E 5F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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