Task 38641152
| Name | cdk8_A02_A01_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-4-6-RND0885_0 |
| Workunit | 31588379 |
| Created | 2 May 2026, 8:02:41 UTC |
| Sent | 2 May 2026, 8:02:45 UTC |
| Report deadline | 7 May 2026, 8:02:45 UTC |
| Received | 2 May 2026, 20:08:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642492 |
| Run time | 4 hours 29 min 38 sec |
| CPU time | 4 hours 1 min 16 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 46,388.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 968.81 MB |
| Peak swap size | 8.87 GB |
| Peak disk usage | 3.26 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:39:01 (25656): wrapper (7.9.26016): starting
17:39:01 (25656): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A01_0.pdb
QB_A02_A01_0.xml
QB_A02_A01.inpcrd
QB_A02_A01_input.yaml
QB_A02_A01.pdb
QB_A02_A01.prmtop
QB_A02_A01_sys.xml
run.bat
run.sh
17:39:02 (25656): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:39:02 (25656): 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\3\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\3\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
22:08:05 (25656): C:/Windows/system32/cmd.exe exited; CPU time 14476.453125
22:08:05 (25656): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 239636537 bytes.
Dumping objects ->
{3835298} normal block at 0x00000139B96E5DB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x00000139B79370D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835276} normal block at 0x00000139B7937060, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835265} normal block at 0x00000139B7937300, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x00000139B7936FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835223} normal block at 0x00000139B9685D70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x00000139B791DDB0, 235 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) : {3835209} normal block at 0x00000139B792DAB0, 8 bytes long.
Data: < Ñ·9 > 00 00 D1 B7 39 01 00 00
{3834587} normal block at 0x00000139B791DC80, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x00000139B792D4C0, 8 bytes long.
Data: <ÐPn¹9 > D0 50 6E B9 39 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000139B7921880, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000139B7922610, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000139B79380B0, 16 bytes long.
Data: < ‰“·9 > 98 89 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000139B7937BB0, 16 bytes long.
Data: <p‰“·9 > 70 89 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000139B7930F10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000139B79377A0, 16 bytes long.
Data: <H‰“·9 > 48 89 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000139B7938150, 16 bytes long.
Data: < ‰“·9 > 20 89 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000139B79383D0, 16 bytes long.
Data: <ø “·9 > F8 88 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000139B7937750, 16 bytes long.
Data: <Ð “·9 > D0 88 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000139B79371B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000139B79384C0, 16 bytes long.
Data: <¨ô‘·9 > A8 F4 91 B7 39 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000139B79319F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000139B7938240, 16 bytes long.
Data: < ô‘·9 > 80 F4 91 B7 39 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000139B7938060, 16 bytes long.
Data: <Xô‘·9 > 58 F4 91 B7 39 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000139B7937A20, 16 bytes long.
Data: <0ô‘·9 > 30 F4 91 B7 39 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000139B7937C50, 16 bytes long.
Data: < ô‘·9 > 08 F4 91 B7 39 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000139B7937CF0, 16 bytes long.
Data: <àó‘·9 > E0 F3 91 B7 39 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000139B7938470, 16 bytes long.
Data: <¸ó‘·9 > B8 F3 91 B7 39 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000139B7931D50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000139B7937700, 16 bytes long.
Data: < ó‘·9 > 90 F3 91 B7 39 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000139B791F390, 320 bytes long.
Data: < w“·9 P “·9 > 00 77 93 B7 39 01 00 00 50 1D 93 B7 39 01 00 00
{275} normal block at 0x00000139B79379D0, 16 bytes long.
Data: <° “·9 > B0 88 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000139B7937930, 16 bytes long.
Data: < “·9 > 88 88 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000139B7931930, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000139B7938010, 16 bytes long.
Data: <` “·9 > 60 88 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000139B7930FD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000139B7937FC0, 16 bytes long.
Data: <¨‡“·9 > A8 87 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000139B7937F70, 16 bytes long.
Data: < ‡“·9 > 80 87 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000139B7937D90, 16 bytes long.
Data: <X‡“·9 > 58 87 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000139B7938380, 16 bytes long.
Data: <0‡“·9 > 30 87 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000139B7938100, 16 bytes long.
Data: < ‡“·9 > 08 87 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000139B7938560, 16 bytes long.
Data: <à†“·9 > E0 86 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000139B7937B60, 16 bytes long.
Data: < u“·9 > A0 75 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000139B79375A0, 40 bytes long.
Data: <`{“·9 p]h¹9 > 60 7B 93 B7 39 01 00 00 70 5D 68 B9 39 01 00 00
{261} normal block at 0x00000139B79376B0, 16 bytes long.
Data: <À†“·9 > C0 86 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000139B7937E80, 16 bytes long.
Data: < †“·9 > 98 86 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000139B7931A50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000139B7937890, 16 bytes long.
Data: <p†“·9 > 70 86 93 B7 39 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000139B7938670, 992 bytes long.
Data: < x“·9 P “·9 > 90 78 93 B7 39 01 00 00 50 1A 93 B7 39 01 00 00
{93} normal block at 0x00000139B7931C90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000139B792D600, 16 bytes long.
Data: <°á‘·9 > B0 E1 91 B7 39 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000139B791E1B0, 40 bytes long.
Data: < Ö’·9 “·9 > 00 D6 92 B7 39 01 00 00 90 1C 93 B7 39 01 00 00
{70} normal block at 0x00000139B792DE70, 16 bytes long.
Data: < êÆéö > 80 EA C6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000139B792DFB0, 16 bytes long.
Data: <@éÆéö > 40 E9 C6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000139B792DBF0, 16 bytes long.
Data: <øWÃéö > F8 57 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000139B792DEC0, 16 bytes long.
Data: <ØWÃéö > D8 57 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000139B792E140, 16 bytes long.
Data: <P Ãéö > 50 04 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000139B792D740, 16 bytes long.
Data: <0 Ãéö > 30 04 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000139B792D510, 16 bytes long.
Data: <à Ãéö > E0 02 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000139B792E050, 16 bytes long.
Data: < Ãéö > 10 04 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000139B792DA10, 16 bytes long.
Data: <p Ãéö > 70 04 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000139B792D330, 16 bytes long.
Data: < ÀÁéö > 18 C0 C1 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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