Task 38620100
| Name | p38_2_A08_A20_r0_2-QUICO_ATM_OpenFF_NAGL_p38_2-5-6-RND1128_0 |
| Workunit | 31571366 |
| Created | 19 Apr 2026, 5:09:29 UTC |
| Sent | 19 Apr 2026, 5:09:34 UTC |
| Report deadline | 24 Apr 2026, 5:09:34 UTC |
| Received | 19 Apr 2026, 10:45:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647893 |
| Run time | 5 hours 35 min 52 sec |
| CPU time | 5 hours 25 min 52 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,119.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 663.61 MB |
| Peak swap size | 11.35 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:10:32 (14528): wrapper (7.9.26016): starting
01:10:32 (14528): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A20_0.pdb
QB_A08_A20_0.xml
QB_A08_A20.inpcrd
QB_A08_A20_input.yaml
QB_A08_A20.pdb
QB_A08_A20.prmtop
QB_A08_A20_sys.xml
run.bat
run.sh
01:10:33 (14528): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:10:33 (14528): 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
06:45:34 (14528): C:/Windows/system32/cmd.exe exited; CPU time 19552.843750
06:45:34 (14528): 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: 363767733 bytes.
Dumping objects ->
{3835245} normal block at 0x000002003A9E3400, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x000002003A9E3630, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000002003A9E3470, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835212} normal block at 0x000002003A9E3240, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835201} normal block at 0x0000020038B54930, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835170} normal block at 0x000002003A95B000, 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) : {3835157} normal block at 0x0000020038B4DA50, 8 bytes long.
Data: < ¯8 > 00 00 AF 38 00 02 00 00
{3833959} normal block at 0x0000020038B4D2D0, 8 bytes long.
Data: <`éÂ8 > 60 E9 C2 38 00 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020038B415E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020038B41C80, 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 0x0000020038B55230, 16 bytes long.
Data: <Øeµ8 > D8 65 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020038B55460, 16 bytes long.
Data: <°eµ8 > B0 65 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020038B512B0, 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 0x0000020038B55960, 16 bytes long.
Data: < eµ8 > 88 65 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020038B55140, 16 bytes long.
Data: <`eµ8 > 60 65 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020038B55CD0, 16 bytes long.
Data: <8eµ8 > 38 65 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020038B55910, 16 bytes long.
Data: < eµ8 > 10 65 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020038B54B60, 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 0x0000020038B55370, 16 bytes long.
Data: < µ8 > 98 03 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020038B51490, 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 0x0000020038B55B90, 16 bytes long.
Data: <p µ8 > 70 03 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020038B56040, 16 bytes long.
Data: <H µ8 > 48 03 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020038B55FA0, 16 bytes long.
Data: < µ8 > 20 03 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020038B55F00, 16 bytes long.
Data: <ø µ8 > F8 02 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020038B55A00, 16 bytes long.
Data: <Ð µ8 > D0 02 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020038B55DC0, 16 bytes long.
Data: <¨ µ8 > A8 02 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020038B50B90, 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 0x0000020038B55D20, 16 bytes long.
Data: < µ8 > 80 02 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020038B50280, 320 bytes long.
Data: < ]µ8 µ8 > 20 5D B5 38 00 02 00 00 90 0B B5 38 00 02 00 00
{275} normal block at 0x0000020038B552D0, 16 bytes long.
Data: <ðdµ8 > F0 64 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020038B55A50, 16 bytes long.
Data: <Èdµ8 > C8 64 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020038B508F0, 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 0x0000020038B559B0, 16 bytes long.
Data: < dµ8 > A0 64 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020038B507D0, 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 0x0000020038B55730, 16 bytes long.
Data: <ècµ8 > E8 63 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020038B55320, 16 bytes long.
Data: <Àcµ8 > C0 63 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020038B55E60, 16 bytes long.
Data: < cµ8 > 98 63 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020038B55550, 16 bytes long.
Data: <pcµ8 > 70 63 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020038B55EB0, 16 bytes long.
Data: <Hcµ8 > 48 63 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020038B56090, 16 bytes long.
Data: < cµ8 > 20 63 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020038B55D70, 16 bytes long.
Data: < Iµ8 > A0 49 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020038B549A0, 40 bytes long.
Data: <p]µ8 °•: > 70 5D B5 38 00 02 00 00 00 B0 95 3A 00 02 00 00
{261} normal block at 0x0000020038B55B40, 16 bytes long.
Data: < cµ8 > 00 63 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020038B554B0, 16 bytes long.
Data: <Øbµ8 > D8 62 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020038B505F0, 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 0x0000020038B55280, 16 bytes long.
Data: <°bµ8 > B0 62 B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020038B562B0, 992 bytes long.
Data: < Rµ8 ð µ8 > 80 52 B5 38 00 02 00 00 F0 05 B5 38 00 02 00 00
{93} normal block at 0x0000020038B50FB0, 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 0x0000020038B4D870, 16 bytes long.
Data: < Mµ8 > 90 4D B5 38 00 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000020038B54D90, 40 bytes long.
Data: <pØ´8 ° µ8 > 70 D8 B4 38 00 02 00 00 B0 0F B5 38 00 02 00 00
{70} normal block at 0x0000020038B4D370, 16 bytes long.
Data: < êœN÷ > 80 EA 9C 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020038B4D730, 16 bytes long.
Data: <@éœN÷ > 40 E9 9C 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020038B4D410, 16 bytes long.
Data: <øW N÷ > F8 57 99 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020038B4D6E0, 16 bytes long.
Data: <ØW N÷ > D8 57 99 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020038B4D780, 16 bytes long.
Data: <P N÷ > 50 04 99 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020038B4D8C0, 16 bytes long.
Data: <0 N÷ > 30 04 99 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020038B4CC40, 16 bytes long.
Data: <à N÷ > E0 02 99 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020038B4DAF0, 16 bytes long.
Data: < N÷ > 10 04 99 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020038B4D820, 16 bytes long.
Data: <p N÷ > 70 04 99 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020038B4CDD0, 16 bytes long.
Data: < À—N÷ > 18 C0 97 4E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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