Task 38624043
| Name | p38_A27_A25_r0_2-QUICO_ATM_OpenFF_p38-5-6-RND6356_1 |
| Workunit | 31574548 |
| Created | 22 Apr 2026, 9:05:51 UTC |
| Sent | 22 Apr 2026, 9:05:58 UTC |
| Report deadline | 27 Apr 2026, 9:05:58 UTC |
| Received | 22 Apr 2026, 14:28:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627499 |
| Run time | 5 hours 22 min 6 sec |
| CPU time | 5 hours 27 min 13 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,187.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 623.89 MB |
| Peak swap size | 5.22 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:07:47 (11728): wrapper (7.9.26016): starting
11:07:47 (11728): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_0.pdb
QB_A27_A25_0.xml
QB_A27_A25.inpcrd
QB_A27_A25_input.yaml
QB_A27_A25.pdb
QB_A27_A25.prmtop
QB_A27_A25_sys.xml
run.bat
run.sh
11:07:48 (11728): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:07:48 (11728): 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
16:27:37 (11728): C:/Windows/system32/cmd.exe exited; CPU time 19633.062500
16:27:37 (11728): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 241433795 bytes.
Dumping objects ->
{3835224} normal block at 0x000002149E00D1C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x000002149E00C740, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x000002149C404960, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835191} normal block at 0x000002149C404DC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000002149C404880, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835149} normal block at 0x000002149E0549C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835138} normal block at 0x000002149E06EF30, 102 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) : {3835135} normal block at 0x000002149C3FD520, 8 bytes long.
Data: < =œ > 00 00 3D 9C 14 02 00 00
{3834537} normal block at 0x000002149E06E900, 102 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 0x000002149C3FD340, 8 bytes long.
Data: <ÀÕ>œ > C0 D5 3E 9C 14 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002149C3F14F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002149C3F2550, 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 0x000002149C4054F0, 16 bytes long.
Data: < f@œ > 98 66 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002149C405450, 16 bytes long.
Data: <pf@œ > 70 66 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002149C4015A0, 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 0x000002149C4062B0, 16 bytes long.
Data: <Hf@œ > 48 66 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002149C405950, 16 bytes long.
Data: < f@œ > 20 66 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002149C4059F0, 16 bytes long.
Data: <øe@œ > F8 65 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002149C406260, 16 bytes long.
Data: <Ðe@œ > D0 65 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002149C404EA0, 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 0x000002149C405860, 16 bytes long.
Data: <x³>œ > 78 B3 3E 9C 14 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002149C400CA0, 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 0x000002149C405FE0, 16 bytes long.
Data: <P³>œ > 50 B3 3E 9C 14 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002149C406210, 16 bytes long.
Data: <(³>œ > 28 B3 3E 9C 14 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002149C405F40, 16 bytes long.
Data: < ³>œ > 00 B3 3E 9C 14 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002149C4061C0, 16 bytes long.
Data: <ز>œ > D8 B2 3E 9C 14 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002149C406170, 16 bytes long.
Data: <°²>œ > B0 B2 3E 9C 14 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002149C4058B0, 16 bytes long.
Data: < ²>œ > 88 B2 3E 9C 14 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002149C401000, 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 0x000002149C405680, 16 bytes long.
Data: <`²>œ > 60 B2 3E 9C 14 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002149C3EB260, 320 bytes long.
Data: < V@œ @œ > 80 56 40 9C 14 02 00 00 00 10 40 9C 14 02 00 00
{275} normal block at 0x000002149C405400, 16 bytes long.
Data: <°e@œ > B0 65 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002149C4057C0, 16 bytes long.
Data: < e@œ > 88 65 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002149C400FA0, 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 0x000002149C405E00, 16 bytes long.
Data: <`e@œ > 60 65 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002149C400EE0, 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 0x000002149C405CC0, 16 bytes long.
Data: <¨d@œ > A8 64 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002149C405B80, 16 bytes long.
Data: < d@œ > 80 64 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002149C4055E0, 16 bytes long.
Data: <Xd@œ > 58 64 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002149C405900, 16 bytes long.
Data: <0d@œ > 30 64 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002149C405D10, 16 bytes long.
Data: < d@œ > 08 64 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002149C405770, 16 bytes long.
Data: <àc@œ > E0 63 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002149C405590, 16 bytes long.
Data: <àL@œ > E0 4C 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002149C404CE0, 40 bytes long.
Data: < U@œ ÀI ž > 90 55 40 9C 14 02 00 00 C0 49 05 9E 14 02 00 00
{261} normal block at 0x000002149C405AE0, 16 bytes long.
Data: <Àc@œ > C0 63 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002149C4060D0, 16 bytes long.
Data: < c@œ > 98 63 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002149C4008E0, 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 0x000002149C405810, 16 bytes long.
Data: <pc@œ > 70 63 40 9C 14 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002149C406370, 992 bytes long.
Data: < X@œ à @œ > 10 58 40 9C 14 02 00 00 E0 08 40 9C 14 02 00 00
{93} normal block at 0x000002149C401240, 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 0x000002149C3FDCF0, 16 bytes long.
Data: <0Å>œ > 30 C5 3E 9C 14 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002149C3EC530, 40 bytes long.
Data: <ðÜ?œ @ @œ > F0 DC 3F 9C 14 02 00 00 40 12 40 9C 14 02 00 00
{70} normal block at 0x000002149C3FDC00, 16 bytes long.
Data: < êI,ö > 80 EA 49 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002149C3FD200, 16 bytes long.
Data: <@éI,ö > 40 E9 49 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002149C3FCFD0, 16 bytes long.
Data: <øWF,ö > F8 57 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002149C3FD1B0, 16 bytes long.
Data: <ØWF,ö > D8 57 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002149C3FDE30, 16 bytes long.
Data: <P F,ö > 50 04 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002149C3FD7F0, 16 bytes long.
Data: <0 F,ö > 30 04 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002149C3FD890, 16 bytes long.
Data: <à F,ö > E0 02 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002149C3FCF80, 16 bytes long.
Data: < F,ö > 10 04 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002149C3FDBB0, 16 bytes long.
Data: <p F,ö > 70 04 46 2C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002149C3FDE80, 16 bytes long.
Data: < ÀD,ö > 18 C0 44 2C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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