Task 38582323
| Name | HIF2A_A02_A11_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND7285_0 |
| Workunit | 31546649 |
| Created | 13 Dec 2025, 1:49:08 UTC |
| Sent | 13 Dec 2025, 1:49:11 UTC |
| Report deadline | 18 Dec 2025, 1:49:11 UTC |
| Received | 13 Dec 2025, 8:43:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 623141 |
| Run time | 6 hours 43 min 31 sec |
| CPU time | 6 hours 38 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 4,382.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 479.46 MB |
| Peak swap size | 3.27 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:00:08 (28460): wrapper (7.9.26016): starting
04:00:08 (28460): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A11_0.pdb
QB_A02_A11_0.xml
QB_A02_A11_equil.pdb
QB_A02_A11.inpcrd
QB_A02_A11_input.yaml
QB_A02_A11_mdlambda.pdb
QB_A02_A11_min.pdb
QB_A02_A11_npt.pdb
QB_A02_A11.pdb
QB_A02_A11.prmtop
QB_A02_A11_sys.xml
QB_A02_A11_therm.pdb
run.bat
run.sh
04:00:10 (28460): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:00:10 (28460): 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 'D:\Documents\Fred\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 'D:\Documents\Fred\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
10:42:28 (28460): C:/Windows/system32/cmd.exe exited; CPU time 23900.078125
10:42:28 (28460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
442 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: 390279266 bytes.
Dumping objects ->
{3835228} normal block at 0x000001F9987F7F20, 64 bytes long.
Data: <PATH=D:\Document> 50 41 54 48 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74
{3835217} normal block at 0x000001F9962F40A0, 48 bytes long.
Data: <HOME=D:\Document> 48 4F 4D 45 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74
{3835206} normal block at 0x000001F9962F4030, 48 bytes long.
Data: <TMP=D:\Documents> 54 4D 50 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74 73
{3835195} normal block at 0x000001F9962F3FC0, 48 bytes long.
Data: <TEMP=D:\Document> 54 45 4D 50 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74
{3835184} normal block at 0x000001F9962F42D0, 48 bytes long.
Data: <TMPDIR=D:\Docume> 54 4D 50 44 49 52 3D 44 3A 5C 44 6F 63 75 6D 65
{3835153} normal block at 0x000001F9987F7BA0, 64 bytes long.
Data: <PATH=D:\Document> 50 41 54 48 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74
{3835142} normal block at 0x000001F99880A9A0, 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) : {3835139} normal block at 0x000001F9962EA800, 8 bytes long.
Data: < P–ù > 00 00 50 96 F9 01 00 00
{3834531} normal block at 0x000001F99880C0C0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833939} normal block at 0x000001F9962EA3A0, 8 bytes long.
Data: <Àê<–ù > C0 EA 3C 96 F9 01 00 00
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001F9962E02A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F9962E78B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{285} normal block at 0x000001F9962F4D20, 16 bytes long.
Data: <Ø]/–ù > D8 5D 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F9962F4CD0, 16 bytes long.
Data: <°]/–ù > B0 5D 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F9962F0500, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{282} normal block at 0x000001F9962F5A40, 16 bytes long.
Data: < ]/–ù > 88 5D 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F9962F4B40, 16 bytes long.
Data: <`]/–ù > 60 5D 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F9962F4C80, 16 bytes long.
Data: <8]/–ù > 38 5D 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F9962F4B90, 16 bytes long.
Data: < ]/–ù > 10 5D 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F9962F43B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{277} normal block at 0x000001F9962F5810, 16 bytes long.
Data: < õ-–ù > 18 F5 2D 96 F9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F9962F0EC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{275} normal block at 0x000001F9962F57C0, 16 bytes long.
Data: <ðô-–ù > F0 F4 2D 96 F9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F9962F5770, 16 bytes long.
Data: <Èô-–ù > C8 F4 2D 96 F9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F9962F59A0, 16 bytes long.
Data: < ô-–ù > A0 F4 2D 96 F9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F9962F55E0, 16 bytes long.
Data: <xô-–ù > 78 F4 2D 96 F9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F9962F5950, 16 bytes long.
Data: <Pô-–ù > 50 F4 2D 96 F9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F9962F5220, 16 bytes long.
Data: <(ô-–ù > 28 F4 2D 96 F9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F9962F0020, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{267} normal block at 0x000001F9962F5540, 16 bytes long.
Data: < ô-–ù > 00 F4 2D 96 F9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F9962DF400, 320 bytes long.
Data: <@U/–ù /–ù > 40 55 2F 96 F9 01 00 00 20 00 2F 96 F9 01 00 00
{265} normal block at 0x000001F9962F5590, 16 bytes long.
Data: <ð\/–ù > F0 5C 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F9962F4D70, 16 bytes long.
Data: <È\/–ù > C8 5C 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F9962F0A40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{262} normal block at 0x000001F9962F4E10, 16 bytes long.
Data: < \/–ù > A0 5C 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F9962F0E60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{260} normal block at 0x000001F9962F5680, 16 bytes long.
Data: <è[/–ù > E8 5B 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F9962F54A0, 16 bytes long.
Data: <À[/–ù > C0 5B 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F9962F53B0, 16 bytes long.
Data: < [/–ù > 98 5B 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F9962F4F00, 16 bytes long.
Data: <p[/–ù > 70 5B 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F9962F4C30, 16 bytes long.
Data: <H[/–ù > 48 5B 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F9962F5090, 16 bytes long.
Data: < [/–ù > 20 5B 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F9962F5630, 16 bytes long.
Data: < D/–ù > 90 44 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F9962F4490, 40 bytes long.
Data: <0V/–ù  { ù > 30 56 2F 96 F9 01 00 00 A0 7B 7F 98 F9 01 00 00
{251} normal block at 0x000001F9962F5900, 16 bytes long.
Data: < [/–ù > 00 5B 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001F9962F5450, 16 bytes long.
Data: <ØZ/–ù > D8 5A 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000001F9962F0E00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{248} normal block at 0x000001F9962F59F0, 16 bytes long.
Data: <°Z/–ù > B0 5A 2F 96 F9 01 00 00 00 00 00 00 00 00 00 00
{247} normal block at 0x000001F9962F5AB0, 992 bytes long.
Data: <ðY/–ù /–ù > F0 59 2F 96 F9 01 00 00 00 0E 2F 96 F9 01 00 00
{83} normal block at 0x000001F9962F0BC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{82} normal block at 0x000001F9962EABC0, 16 bytes long.
Data: < ø-–ù > 90 F8 2D 96 F9 01 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001F9962DF890, 40 bytes long.
Data: <À«.–ù À /–ù > C0 AB 2E 96 F9 01 00 00 C0 0B 2F 96 F9 01 00 00
{60} normal block at 0x000001F9962EA5D0, 16 bytes long.
Data: < êY7÷ > 80 EA 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F9962EA670, 16 bytes long.
Data: <@éY7÷ > 40 E9 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F9962EA030, 16 bytes long.
Data: <øWV7÷ > F8 57 56 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F9962E9DB0, 16 bytes long.
Data: <ØWV7÷ > D8 57 56 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F9962EA210, 16 bytes long.
Data: <P V7÷ > 50 04 56 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001F9962EA620, 16 bytes long.
Data: <0 V7÷ > 30 04 56 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001F9962EA1C0, 16 bytes long.
Data: <à V7÷ > E0 02 56 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001F9962EAC10, 16 bytes long.
Data: < V7÷ > 10 04 56 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000001F9962EA760, 16 bytes long.
Data: <p V7÷ > 70 04 56 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{51} normal block at 0x000001F9962E9D60, 16 bytes long.
Data: < ÀT7÷ > 18 C0 54 37 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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