Task 38634103
| Name | cdk8_A11_A26_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-4-6-RND2612_0 |
| Workunit | 31582733 |
| Created | 27 Apr 2026, 17:56:41 UTC |
| Sent | 27 Apr 2026, 17:56:49 UTC |
| Report deadline | 2 May 2026, 17:56:49 UTC |
| Received | 29 Apr 2026, 9:04:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 591716 |
| Run time | 11 hours 43 min 11 sec |
| CPU time | 9 hours 27 min 35 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 36,132.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 960.25 MB |
| Peak swap size | 11.83 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
21:33:05 (25936): wrapper (7.9.26016): starting
21:33:06 (25936): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A26_0.pdb
QB_A11_A26_0.xml
QB_A11_A26.inpcrd
QB_A11_A26_input.yaml
QB_A11_A26.pdb
QB_A11_A26.prmtop
QB_A11_A26_sys.xml
run.bat
run.sh
21:33:15 (25936): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:33:15 (25936): 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\005\slots\4\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\005\slots\4\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
11:02:36 (25936): C:/Windows/system32/cmd.exe exited; CPU time 34055.375000
11:02:36 (25936): 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: 997985961 bytes.
Dumping objects ->
{3835218} normal block at 0x0000029C55590BC0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835207} normal block at 0x0000029C556D35A0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835196} normal block at 0x0000029C556D3420, 32 bytes long.
Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35
{3835185} normal block at 0x0000029C556D3300, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835174} normal block at 0x0000029C556D2340, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835143} normal block at 0x0000029C55590B50, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835132} normal block at 0x0000029C5559CBB0, 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) : {3835128} normal block at 0x0000029C53AC7AC0, 8 bytes long.
Data: < ©Sœ > 00 00 A9 53 9C 02 00 00
{3834530} normal block at 0x0000029C5559CAE0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x0000029C53AC77A0, 8 bytes long.
Data: <pÙ`Uœ > 70 D9 60 55 9C 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000029C53AD22D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029C53ABB6B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000029C53AD34A0, 16 bytes long.
Data: <8G­Sœ > 38 47 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029C53AD3450, 16 bytes long.
Data: < G­Sœ > 10 47 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029C53ACDE90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000029C53AD43A0, 16 bytes long.
Data: <èF­Sœ > E8 46 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029C53AD4080, 16 bytes long.
Data: <ÀF­Sœ > C0 46 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029C53AD36D0, 16 bytes long.
Data: < F­Sœ > 98 46 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029C53AD3F90, 16 bytes long.
Data: <pF­Sœ > 70 46 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029C53ACC540, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000029C53AD3FE0, 16 bytes long.
Data: <ÈË«Sœ > C8 CB AB 53 9C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029C53ACE0D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000029C53AD42B0, 16 bytes long.
Data: < Ë«Sœ > A0 CB AB 53 9C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029C53AD3680, 16 bytes long.
Data: <xË«Sœ > 78 CB AB 53 9C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029C53AD3A90, 16 bytes long.
Data: <PË«Sœ > 50 CB AB 53 9C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029C53AD38B0, 16 bytes long.
Data: <(Ë«Sœ > 28 CB AB 53 9C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029C53AD3EF0, 16 bytes long.
Data: < Ë«Sœ > 00 CB AB 53 9C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029C53AD3630, 16 bytes long.
Data: <ØÊ«Sœ > D8 CA AB 53 9C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029C53ACE070, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000029C53AD3E50, 16 bytes long.
Data: <°Ê«Sœ > B0 CA AB 53 9C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029C53ABCAB0, 320 bytes long.
Data: <P>­Sœ pà¬Sœ > 50 3E AD 53 9C 02 00 00 70 E0 AC 53 9C 02 00 00
{270} normal block at 0x0000029C53AD3E00, 16 bytes long.
Data: <PF­Sœ > 50 46 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029C53AD3720, 16 bytes long.
Data: <(F­Sœ > 28 46 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029C53ACD9B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000029C53AD4210, 16 bytes long.
Data: < F­Sœ > 00 46 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029C53ACE3D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000029C53AD4350, 16 bytes long.
Data: <HE­Sœ > 48 45 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029C53AD3CC0, 16 bytes long.
Data: < E­Sœ > 20 45 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029C53AD41C0, 16 bytes long.
Data: <øD­Sœ > F8 44 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029C53AD4300, 16 bytes long.
Data: <ÐD­Sœ > D0 44 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029C53AD3C70, 16 bytes long.
Data: <¨D­Sœ > A8 44 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029C53AD3770, 16 bytes long.
Data: < D­Sœ > 80 44 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029C53AD37C0, 16 bytes long.
Data: < ìSœ > 80 C3 AC 53 9C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000029C53ACC380, 40 bytes long.
Data: <À7­Sœ P YUœ > C0 37 AD 53 9C 02 00 00 50 0B 59 55 9C 02 00 00
{256} normal block at 0x0000029C53AD3BD0, 16 bytes long.
Data: <`D­Sœ > 60 44 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000029C53AD3B30, 16 bytes long.
Data: <8D­Sœ > 38 44 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000029C53ACD890, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000029C53AD4030, 16 bytes long.
Data: < D­Sœ > 10 44 AD 53 9C 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000029C53AD4410, 992 bytes long.
Data: <0@­Sœ جSœ > 30 40 AD 53 9C 02 00 00 90 D8 AC 53 9C 02 00 00
{88} normal block at 0x0000029C53ACDDD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000029C53AC8150, 16 bytes long.
Data: < ìSœ > 10 C3 AC 53 9C 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000029C53ACC310, 40 bytes long.
Data: <P ¬Sœ ÐݬSœ > 50 81 AC 53 9C 02 00 00 D0 DD AC 53 9C 02 00 00
{65} normal block at 0x0000029C53AC8240, 16 bytes long.
Data: < ê;ö > 80 EA CD BE F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029C53AC7B60, 16 bytes long.
Data: <@é;ö > 40 E9 CD BE F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029C53AC7BB0, 16 bytes long.
Data: <øWʾö > F8 57 CA BE F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029C53AC7570, 16 bytes long.
Data: <ØWʾö > D8 57 CA BE F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000029C53AC7A20, 16 bytes long.
Data: <P ʾö > 50 04 CA BE F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000029C53AC8330, 16 bytes long.
Data: <0 ʾö > 30 04 CA BE F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000029C53AC81F0, 16 bytes long.
Data: <à ʾö > E0 02 CA BE F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000029C53AC7C50, 16 bytes long.
Data: < ʾö > 10 04 CA BE F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000029C53AC7980, 16 bytes long.
Data: <p ʾö > 70 04 CA BE F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000029C53AC7D90, 16 bytes long.
Data: < ÀȾö > 18 C0 C8 BE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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