Task 38610068
| Name | p38_A32_A07_r0_5-QUICO_ATM_OpenFF_p38-1-6-RND0839_1 |
| Workunit | 31562711 |
| Created | 15 Apr 2026, 6:00:14 UTC |
| Sent | 15 Apr 2026, 6:00:44 UTC |
| Report deadline | 20 Apr 2026, 6:00:44 UTC |
| Received | 15 Apr 2026, 10:43:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613873 |
| Run time | 4 hours 42 min 58 sec |
| CPU time | 4 hours 47 min 31 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,776.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 650.26 MB |
| Peak swap size | 6.97 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
08:06:23 (21284): wrapper (7.9.26016): starting
08:06:23 (21284): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A07_0.pdb
QB_A32_A07_0.xml
QB_A32_A07.inpcrd
QB_A32_A07_input.yaml
QB_A32_A07.pdb
QB_A32_A07.prmtop
QB_A32_A07_sys.xml
run.bat
run.sh
08:06:24 (21284): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:06:24 (21284): 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
12:43:06 (21284): C:/Windows/system32/cmd.exe exited; CPU time 17251.281250
12:43:06 (21284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 217039669 bytes.
Dumping objects ->
{3835214} normal block at 0x00000178AB7D1100, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x00000178AB7D0D80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x00000178AB7D0840, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835181} normal block at 0x00000178AB7D16B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835170} normal block at 0x00000178AB7D1090, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835139} normal block at 0x00000178AB87BE80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835128} normal block at 0x00000178AB993F50, 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) : {3835125} normal block at 0x00000178A9BE7D80, 8 bytes long.
Data: < »©x > 00 00 BB A9 78 01 00 00
{3834527} normal block at 0x00000178AB994360, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x00000178A9BE77E0, 8 bytes long.
Data: < W «x > 00 57 99 AB 78 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000178A9BF0D00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000178A9BDADC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000178A9BF1C50, 16 bytes long.
Data: <è4¿©x > E8 34 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000178A9BF2920, 16 bytes long.
Data: <À4¿©x > C0 34 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000178A9BEDCB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000178A9BF1ED0, 16 bytes long.
Data: < 4¿©x > 98 34 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000178A9BF2BA0, 16 bytes long.
Data: <p4¿©x > 70 34 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000178A9BF2AB0, 16 bytes long.
Data: <H4¿©x > 48 34 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000178A9BF2830, 16 bytes long.
Data: < 4¿©x > 20 34 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000178A9BEC080, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000178A9BF23D0, 16 bytes long.
Data: <øо©x > F8 D0 BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000178A9BEDE90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000178A9BF1F20, 16 bytes long.
Data: <Ðо©x > D0 D0 BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000178A9BF1E80, 16 bytes long.
Data: <¨Ð¾©x > A8 D0 BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000178A9BF27E0, 16 bytes long.
Data: < о©x > 80 D0 BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000178A9BF1FC0, 16 bytes long.
Data: <Xо©x > 58 D0 BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000178A9BF24C0, 16 bytes long.
Data: <0о©x > 30 D0 BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000178A9BF2B50, 16 bytes long.
Data: < о©x > 08 D0 BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000178A9BEDC50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000178A9BF1E30, 16 bytes long.
Data: <àϾ©x > E0 CF BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000178A9BECFE0, 320 bytes long.
Data: <0 ¿©x Pܾ©x > 30 1E BF A9 78 01 00 00 50 DC BE A9 78 01 00 00
{268} normal block at 0x00000178A9BF2790, 16 bytes long.
Data: < 4¿©x > 00 34 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000178A9BF2740, 16 bytes long.
Data: <Ø3¿©x > D8 33 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000178A9BED650, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000178A9BF2380, 16 bytes long.
Data: <°3¿©x > B0 33 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000178A9BED1D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000178A9BF2330, 16 bytes long.
Data: <ø2¿©x > F8 32 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000178A9BF2A60, 16 bytes long.
Data: <Ð2¿©x > D0 32 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000178A9BF2600, 16 bytes long.
Data: <¨2¿©x > A8 32 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000178A9BF2510, 16 bytes long.
Data: < 2¿©x > 80 32 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000178A9BF1DE0, 16 bytes long.
Data: <X2¿©x > 58 32 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000178A9BF28D0, 16 bytes long.
Data: <02¿©x > 30 32 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000178A9BF2A10, 16 bytes long.
Data: <Pž©x > 50 C5 BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000178A9BEC550, 40 bytes long.
Data: < *¿©x ¾‡«x > 10 2A BF A9 78 01 00 00 80 BE 87 AB 78 01 00 00
{254} normal block at 0x00000178A9BF2290, 16 bytes long.
Data: < 2¿©x > 10 32 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000178A9BF2240, 16 bytes long.
Data: <è1¿©x > E8 31 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000178A9BED350, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000178A9BF26F0, 16 bytes long.
Data: <À1¿©x > C0 31 BF A9 78 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000178A9BF31C0, 992 bytes long.
Data: <ð&¿©x PÓ¾©x > F0 26 BF A9 78 01 00 00 50 D3 BE A9 78 01 00 00
{86} normal block at 0x00000178A9BED4D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000178A9BE7D30, 16 bytes long.
Data: < ľ©x > 00 C4 BE A9 78 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000178A9BEC400, 40 bytes long.
Data: <0}¾©x ÐÔ¾©x > 30 7D BE A9 78 01 00 00 D0 D4 BE A9 78 01 00 00
{63} normal block at 0x00000178A9BE7740, 16 bytes long.
Data: < ê–Hö > 80 EA 96 48 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000178A9BE7AB0, 16 bytes long.
Data: <@é–Hö > 40 E9 96 48 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000178A9BE7FB0, 16 bytes long.
Data: <øW“Hö > F8 57 93 48 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000178A9BE7380, 16 bytes long.
Data: <ØW“Hö > D8 57 93 48 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000178A9BE7A10, 16 bytes long.
Data: <P “Hö > 50 04 93 48 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000178A9BE74C0, 16 bytes long.
Data: <0 “Hö > 30 04 93 48 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000178A9BE79C0, 16 bytes long.
Data: <à “Hö > E0 02 93 48 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000178A9BE8050, 16 bytes long.
Data: < “Hö > 10 04 93 48 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000178A9BE7C40, 16 bytes long.
Data: <p “Hö > 70 04 93 48 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000178A9BE72E0, 16 bytes long.
Data: < À‘Hö > 18 C0 91 48 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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