Task 38613959
| Name | p38_A08_A06_r0_4-QUICO_ATM_OpenFF_p38-4-6-RND6914_0 |
| Workunit | 31566369 |
| Created | 17 Apr 2026, 5:18:27 UTC |
| Sent | 17 Apr 2026, 5:18:32 UTC |
| Report deadline | 22 Apr 2026, 5:18:32 UTC |
| Received | 18 Apr 2026, 0:39:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651995 |
| Run time | 5 hours 12 min 33 sec |
| CPU time | 5 hours 11 min 18 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 23,189.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 756.88 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:27:10 (10284): wrapper (7.9.26016): starting
21:27:10 (10284): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A06_0.pdb
QB_A08_A06_0.xml
QB_A08_A06.inpcrd
QB_A08_A06_input.yaml
QB_A08_A06.pdb
QB_A08_A06.prmtop
QB_A08_A06_sys.xml
run.bat
run.sh
21:27:11 (10284): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:27:11 (10284): 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:\Boinc\004\slots\2\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:\Boinc\004\slots\2\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
02:39:06 (10284): C:/Windows/system32/cmd.exe exited; CPU time 18678.296875
02:39:06 (10284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 592226655 bytes.
Dumping objects ->
{3835538} normal block at 0x000002ABF0164C30, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835527} normal block at 0x000002ABF1EC5180, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835516} normal block at 0x000002ABF1EC6140, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3835505} normal block at 0x000002ABF1EC6200, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835494} normal block at 0x000002ABF1EC5780, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835463} normal block at 0x000002ABF01645A0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835452} normal block at 0x000002ABF01BB640, 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) : {3835449} normal block at 0x000002ABF015DDA0, 8 bytes long.
Data: < xð« > 00 00 78 F0 AB 02 00 00
{3834673} normal block at 0x000002ABF01BBB20, 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 0x000002ABF015D1C0, 8 bytes long.
Data: <ðSíñ« > F0 53 ED F1 AB 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002ABF01507D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002ABF0152420, 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 0x000002ABF0165D70, 16 bytes long.
Data: <(d ð« > 28 64 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002ABF01652D0, 16 bytes long.
Data: < d ð« > 00 64 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002ABF01608F0, 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 0x000002ABF0165780, 16 bytes long.
Data: <Øc ð« > D8 63 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002ABF0165140, 16 bytes long.
Data: <°c ð« > B0 63 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002ABF0165D20, 16 bytes long.
Data: < c ð« > 88 63 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002ABF0165730, 16 bytes long.
Data: <`c ð« > 60 63 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002ABF0164BC0, 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 0x000002ABF0165CD0, 16 bytes long.
Data: <Xì ð« > 58 EC 14 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002ABF0160950, 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 0x000002ABF01655A0, 16 bytes long.
Data: <0ì ð« > 30 EC 14 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002ABF01653C0, 16 bytes long.
Data: < ì ð« > 08 EC 14 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002ABF0165EB0, 16 bytes long.
Data: <àë ð« > E0 EB 14 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002ABF0165AA0, 16 bytes long.
Data: <¸ë ð« > B8 EB 14 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002ABF0165B90, 16 bytes long.
Data: < ë ð« > 90 EB 14 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002ABF0165FA0, 16 bytes long.
Data: <hë ð« > 68 EB 14 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002ABF0160890, 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 0x000002ABF0166040, 16 bytes long.
Data: <@ë ð« > 40 EB 14 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002ABF014EB40, 320 bytes long.
Data: <@` ð« ð« > 40 60 16 F0 AB 02 00 00 90 08 16 F0 AB 02 00 00
{268} normal block at 0x000002ABF01657D0, 16 bytes long.
Data: <@c ð« > 40 63 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002ABF0165550, 16 bytes long.
Data: < c ð« > 18 63 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002ABF0160C50, 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 0x000002ABF0165500, 16 bytes long.
Data: <ðb ð« > F0 62 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002ABF0160830, 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 0x000002ABF0165BE0, 16 bytes long.
Data: <8b ð« > 38 62 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002ABF0165B40, 16 bytes long.
Data: < b ð« > 10 62 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002ABF0165460, 16 bytes long.
Data: <èa ð« > E8 61 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002ABF0165E60, 16 bytes long.
Data: <Àa ð« > C0 61 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002ABF0165FF0, 16 bytes long.
Data: < a ð« > 98 61 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002ABF0165AF0, 16 bytes long.
Data: <pa ð« > 70 61 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002ABF0165F00, 16 bytes long.
Data: < F ð« > 80 46 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002ABF0164680, 40 bytes long.
Data: < _ ð«  E ð« > 00 5F 16 F0 AB 02 00 00 A0 45 16 F0 AB 02 00 00
{254} normal block at 0x000002ABF01659B0, 16 bytes long.
Data: <Pa ð« > 50 61 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002ABF01656E0, 16 bytes long.
Data: <(a ð« > 28 61 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002ABF01606B0, 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 0x000002ABF0165410, 16 bytes long.
Data: < a ð« > 00 61 16 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002ABF0166100, 992 bytes long.
Data: < T ð« ° ð« > 10 54 16 F0 AB 02 00 00 B0 06 16 F0 AB 02 00 00
{86} normal block at 0x000002ABF0160BF0, 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 0x000002ABF015D0D0, 16 bytes long.
Data: <`¿ ð« > 60 BF 14 F0 AB 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002ABF014BF60, 40 bytes long.
Data: <ÐÐ ð« ð ð« > D0 D0 15 F0 AB 02 00 00 F0 0B 16 F0 AB 02 00 00
{63} normal block at 0x000002ABF015CF40, 16 bytes long.
Data: < ê ”÷ > 80 EA 19 94 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002ABF015DC60, 16 bytes long.
Data: <@é ”÷ > 40 E9 19 94 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002ABF015D8F0, 16 bytes long.
Data: <øW ”÷ > F8 57 16 94 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002ABF015D800, 16 bytes long.
Data: <ØW ”÷ > D8 57 16 94 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002ABF015D990, 16 bytes long.
Data: <P ”÷ > 50 04 16 94 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002ABF015D6C0, 16 bytes long.
Data: <0 ”÷ > 30 04 16 94 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002ABF015D4E0, 16 bytes long.
Data: <à ”÷ > E0 02 16 94 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002ABF015DAD0, 16 bytes long.
Data: < ”÷ > 10 04 16 94 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002ABF015D3A0, 16 bytes long.
Data: <p ”÷ > 70 04 16 94 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002ABF015DCB0, 16 bytes long.
Data: < À ”÷ > 18 C0 14 94 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra