Task 38619710
| Name | p38_2_A18_A08_r0_5-QUICO_ATM_OpenFF_NAGL_p38_2-2-6-RND9827_0 |
| Workunit | 31571033 |
| Created | 19 Apr 2026, 0:54:08 UTC |
| Sent | 19 Apr 2026, 0:54:09 UTC |
| Report deadline | 24 Apr 2026, 0:54:09 UTC |
| Received | 19 Apr 2026, 10:24:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 541192 |
| Run time | 4 hours 18 min 39 sec |
| CPU time | 4 hours 18 min 39 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 52,233.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.43 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:11:12 (26628): wrapper (7.9.26016): starting
08:11:12 (26628): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A08_0.pdb
QB_A18_A08_0.xml
QB_A18_A08.inpcrd
QB_A18_A08_input.yaml
QB_A18_A08.pdb
QB_A18_A08.prmtop
QB_A18_A08_sys.xml
run.bat
run.sh
08:11:14 (26628): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:11:14 (26628): 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 'J:\BOINC\data\slots\32\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 'J:\BOINC\data\slots\32\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
12:23:58 (26628): C:/Windows/system32/cmd.exe exited; CPU time 15518.984375
12:23:58 (26628): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 339244594 bytes.
Dumping objects ->
{3835584} normal block at 0x000001F8498B5D20, 48 bytes long.
Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835573} normal block at 0x000001F84B727860, 32 bytes long.
Data: <HOME=J:\BOINC\da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835562} normal block at 0x000001F84B7276E0, 32 bytes long.
Data: <TMP=J:\BOINC\dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835551} normal block at 0x000001F84B727620, 32 bytes long.
Data: <TEMP=J:\BOINC\da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835540} normal block at 0x000001F84B7274A0, 32 bytes long.
Data: <TMPDIR=J:\BOINC\> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5C
{3835509} normal block at 0x000001F8498B61F0, 48 bytes long.
Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835498} normal block at 0x000001F84B6EE6B0, 85 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) : {3835495} normal block at 0x000001F8498AA7D0, 8 bytes long.
Data: < éIø > 00 00 E9 49 F8 01 00 00
{3834715} normal block at 0x000001F84B6EE430, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833989} normal block at 0x000001F8498AA370, 8 bytes long.
Data: <pá‰Iø > 70 E1 89 49 F8 01 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001F8498A1BA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x000001F8498A24A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{310} normal block at 0x000001F8498B6A20, 16 bytes long.
Data: < |‹Iø > 18 7C 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001F8498B7600, 16 bytes long.
Data: <ð{‹Iø > F0 7B 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001F8498B09F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{307} normal block at 0x000001F8498B7560, 16 bytes long.
Data: <È{‹Iø > C8 7B 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001F8498B7830, 16 bytes long.
Data: < {‹Iø > A0 7B 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001F8498B6DE0, 16 bytes long.
Data: <x{‹Iø > 78 7B 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001F8498B73D0, 16 bytes long.
Data: <P{‹Iø > 50 7B 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001F8498B5FC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{302} normal block at 0x000001F8498B6FC0, 16 bytes long.
Data: < ŠIø > 88 08 8A 49 F8 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001F8498B0FF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{300} normal block at 0x000001F8498B6C50, 16 bytes long.
Data: <` ŠIø > 60 08 8A 49 F8 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F8498B7510, 16 bytes long.
Data: <8 ŠIø > 38 08 8A 49 F8 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F8498B76F0, 16 bytes long.
Data: < ŠIø > 10 08 8A 49 F8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F8498B77E0, 16 bytes long.
Data: <è ŠIø > E8 07 8A 49 F8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F8498B7420, 16 bytes long.
Data: <À ŠIø > C0 07 8A 49 F8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F8498B6B60, 16 bytes long.
Data: < ŠIø > 98 07 8A 49 F8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F8498B0330, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{292} normal block at 0x000001F8498B74C0, 16 bytes long.
Data: <p ŠIø > 70 07 8A 49 F8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F8498A0770, 320 bytes long.
Data: <Àt‹Iø 0 ‹Iø > C0 74 8B 49 F8 01 00 00 30 03 8B 49 F8 01 00 00
{290} normal block at 0x000001F8498B72E0, 16 bytes long.
Data: <0{‹Iø > 30 7B 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F8498B6E80, 16 bytes long.
Data: < {‹Iø > 08 7B 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F8498B0C30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{287} normal block at 0x000001F8498B7240, 16 bytes long.
Data: <àz‹Iø > E0 7A 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F8498B1050, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{285} normal block at 0x000001F8498B7290, 16 bytes long.
Data: <(z‹Iø > 28 7A 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F8498B71F0, 16 bytes long.
Data: < z‹Iø > 00 7A 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F8498B7330, 16 bytes long.
Data: <Øy‹Iø > D8 79 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F8498B71A0, 16 bytes long.
Data: <°y‹Iø > B0 79 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F8498B6D90, 16 bytes long.
Data: < y‹Iø > 88 79 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F8498B6F70, 16 bytes long.
Data: <`y‹Iø > 60 79 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F8498B6C00, 16 bytes long.
Data: < a‹Iø > 10 61 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F8498B6110, 40 bytes long.
Data: < l‹Iø ða‹Iø > 00 6C 8B 49 F8 01 00 00 F0 61 8B 49 F8 01 00 00
{276} normal block at 0x000001F8498B7740, 16 bytes long.
Data: <@y‹Iø > 40 79 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F8498B6CF0, 16 bytes long.
Data: < y‹Iø > 18 79 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F8498B0810, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{273} normal block at 0x000001F8498B7790, 16 bytes long.
Data: <ðx‹Iø > F0 78 8B 49 F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F8498B78F0, 992 bytes long.
Data: < w‹Iø ‹Iø > 90 77 8B 49 F8 01 00 00 10 08 8B 49 F8 01 00 00
{108} normal block at 0x000001F8498B0930, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{107} normal block at 0x000001F8498AAB40, 16 bytes long.
Data: <@݉Iø > 40 DD 89 49 F8 01 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x000001F84989DD40, 40 bytes long.
Data: <@«ŠIø 0 ‹Iø > 40 AB 8A 49 F8 01 00 00 30 09 8B 49 F8 01 00 00
{85} normal block at 0x000001F8498AA230, 16 bytes long.
Data: < êq¡ö > 80 EA 71 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001F8498AA5F0, 16 bytes long.
Data: <@éq¡ö > 40 E9 71 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001F8498A9E70, 16 bytes long.
Data: <øWn¡ö > F8 57 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001F8498AA5A0, 16 bytes long.
Data: <ØWn¡ö > D8 57 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001F8498AA550, 16 bytes long.
Data: <P n¡ö > 50 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001F8498A9EC0, 16 bytes long.
Data: <0 n¡ö > 30 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001F8498AA4B0, 16 bytes long.
Data: <à n¡ö > E0 02 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001F8498AA2D0, 16 bytes long.
Data: < n¡ö > 10 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001F8498AA0F0, 16 bytes long.
Data: <p n¡ö > 70 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001F8498A9DD0, 16 bytes long.
Data: < Àl¡ö > 18 C0 6C A1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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