Task 38609278
| Name | p38_A04_A29_r0_1-QUICO_ATM_OpenFF_p38-0-6-RND7493_1 |
| Workunit | 31561407 |
| Created | 14 Apr 2026, 22:29:55 UTC |
| Sent | 14 Apr 2026, 22:30:00 UTC |
| Report deadline | 19 Apr 2026, 22:30:00 UTC |
| Received | 15 Apr 2026, 11:12:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651493 |
| Run time | 12 hours 35 min 42 sec |
| CPU time | 12 hours 35 min 42 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 6,566.65 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 569.81 MB |
| Peak swap size | 5.33 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:47:57 (27612): wrapper (7.9.26016): starting
08:47:57 (27612): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A29_0.pdb
QB_A04_A29_0.xml
QB_A04_A29.inpcrd
QB_A04_A29_input.yaml
QB_A04_A29.pdb
QB_A04_A29.prmtop
QB_A04_A29_sys.xml
run.bat
run.sh
08:48:01 (27612): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:48:01 (27612): 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
21:10:32 (27612): C:/Windows/system32/cmd.exe exited; CPU time 45342.390625
21:10:32 (27612): 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: 560472345 bytes.
Dumping objects ->
{3835188} normal block at 0x000001CCCE1865D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x000001CCCE186B80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835166} normal block at 0x000001CCCE186560, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835155} normal block at 0x000001CCCE186640, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835144} normal block at 0x000001CCCE186B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835113} normal block at 0x000001CCCFD9D090, 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) : {3835100} normal block at 0x000001CCCE155F30, 8 bytes long.
Data: < ËÏÌ > 00 00 CB CF CC 01 00 00
{3833943} normal block at 0x000001CCCE155CB0, 8 bytes long.
Data: <0äÊÏÌ > 30 E4 CA CF CC 01 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001CCCE161AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CCCE145C20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x000001CCCE162D90, 16 bytes long.
Data: <x= ÎÌ > 78 3D 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CCCE163790, 16 bytes long.
Data: <P= ÎÌ > 50 3D 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CCCE15B600, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x000001CCCE1630B0, 16 bytes long.
Data: <(= ÎÌ > 28 3D 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CCCE163560, 16 bytes long.
Data: < = ÎÌ > 00 3D 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CCCE1634C0, 16 bytes long.
Data: <Ø< ÎÌ > D8 3C 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CCCE162980, 16 bytes long.
Data: <°< ÎÌ > B0 3C 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CCCE15A170, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x000001CCCE163510, 16 bytes long.
Data: <¸[ ÎÌ > B8 5B 14 CE CC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CCCE15B8A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x000001CCCE163240, 16 bytes long.
Data: < [ ÎÌ > 90 5B 14 CE CC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CCCE163470, 16 bytes long.
Data: <h[ ÎÌ > 68 5B 14 CE CC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CCCE162DE0, 16 bytes long.
Data: <@[ ÎÌ > 40 5B 14 CE CC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CCCE162A70, 16 bytes long.
Data: < [ ÎÌ > 18 5B 14 CE CC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CCCE163290, 16 bytes long.
Data: <ðZ ÎÌ > F0 5A 14 CE CC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CCCE163060, 16 bytes long.
Data: <ÈZ ÎÌ > C8 5A 14 CE CC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CCCE15C320, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x000001CCCE1631A0, 16 bytes long.
Data: < Z ÎÌ > A0 5A 14 CE CC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CCCE145AA0, 320 bytes long.
Data: < 1 ÎÌ Ã ÎÌ > A0 31 16 CE CC 01 00 00 20 C3 15 CE CC 01 00 00
{267} normal block at 0x000001CCCE163010, 16 bytes long.
Data: < < ÎÌ > 90 3C 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CCCE163100, 16 bytes long.
Data: <h< ÎÌ > 68 3C 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CCCE15BD20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x000001CCCE1629D0, 16 bytes long.
Data: <@< ÎÌ > 40 3C 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CCCE15BDE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x000001CCCE162B10, 16 bytes long.
Data: < ; ÎÌ > 88 3B 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CCCE163740, 16 bytes long.
Data: <`; ÎÌ > 60 3B 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CCCE1631F0, 16 bytes long.
Data: <8; ÎÌ > 38 3B 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CCCE162C00, 16 bytes long.
Data: < ; ÎÌ > 10 3B 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CCCE163380, 16 bytes long.
Data: <è: ÎÌ > E8 3A 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CCCE162D40, 16 bytes long.
Data: <À: ÎÌ > C0 3A 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001CCCE162CF0, 16 bytes long.
Data: < ¡ ÎÌ > 00 A1 15 CE CC 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001CCCE15A100, 40 bytes long.
Data: <ð, ÎÌ ÐÙÏÌ > F0 2C 16 CE CC 01 00 00 90 D0 D9 CF CC 01 00 00
{253} normal block at 0x000001CCCE163330, 16 bytes long.
Data: < : ÎÌ > A0 3A 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001CCCE162CA0, 16 bytes long.
Data: <x: ÎÌ > 78 3A 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001CCCE15C140, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x000001CCCE163420, 16 bytes long.
Data: <P: ÎÌ > 50 3A 16 CE CC 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000001CCCE163A50, 992 bytes long.
Data: < 4 ÎÌ @Á ÎÌ > 20 34 16 CE CC 01 00 00 40 C1 15 CE CC 01 00 00
{85} normal block at 0x000001CCCE15BB40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x000001CCCE155E40, 16 bytes long.
Data: <Ð¥ ÎÌ > D0 A5 15 CE CC 01 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001CCCE15A5D0, 40 bytes long.
Data: <@^ ÎÌ @» ÎÌ > 40 5E 15 CE CC 01 00 00 40 BB 15 CE CC 01 00 00
{62} normal block at 0x000001CCCE155620, 16 bytes long.
Data: < ê~òö > 80 EA 7E F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CCCE155A30, 16 bytes long.
Data: <@é~òö > 40 E9 7E F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CCCE155940, 16 bytes long.
Data: <øW{òö > F8 57 7B F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CCCE155350, 16 bytes long.
Data: <ØW{òö > D8 57 7B F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001CCCE1554E0, 16 bytes long.
Data: <P {òö > 50 04 7B F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001CCCE155D50, 16 bytes long.
Data: <0 {òö > 30 04 7B F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001CCCE155C60, 16 bytes long.
Data: <à {òö > E0 02 7B F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001CCCE155B70, 16 bytes long.
Data: < {òö > 10 04 7B F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001CCCE155DF0, 16 bytes long.
Data: <p {òö > 70 04 7B F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001CCCE156110, 16 bytes long.
Data: < Àyòö > 18 C0 79 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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