Task 38608957
| Name | hif2a_A02_A36_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-3-6-RND7266_0 |
| Workunit | 31562124 |
| Created | 14 Apr 2026, 19:52:12 UTC |
| Sent | 14 Apr 2026, 19:52:18 UTC |
| Report deadline | 19 Apr 2026, 19:52:18 UTC |
| Received | 15 Apr 2026, 9:29:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 591711 |
| Run time | 3 hours 1 min 36 sec |
| CPU time | 3 hours 1 min 36 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 36,131.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 502.27 MB |
| Peak swap size | 18.63 GB |
| Peak disk usage | 3.95 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
08:31:11 (10592): wrapper (7.9.26016): starting
08:31:11 (10592): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A36_0.pdb
QB_A02_A36_0.xml
QB_A02_A36.inpcrd
QB_A02_A36_input.yaml
QB_A02_A36.pdb
QB_A02_A36.prmtop
QB_A02_A36_sys.xml
run.bat
run.sh
08:31:12 (10592): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:31:12 (10592): 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\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\005\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
11:21:24 (10592): C:/Windows/system32/cmd.exe exited; CPU time 10896.671875
11:21:24 (10592): 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: 310222491 bytes.
Dumping objects ->
{3835280} normal block at 0x00000163A7A880D0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835269} normal block at 0x00000163A9855100, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835258} normal block at 0x00000163A9855760, 32 bytes long.
Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35
{3835247} normal block at 0x00000163A9855640, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835236} normal block at 0x00000163A98560C0, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835205} normal block at 0x00000163A7A87FF0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835194} normal block at 0x00000163A7AAF130, 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) : {3835191} normal block at 0x00000163A7A59B60, 8 bytes long.
Data: < ٤c > 00 00 9F A7 63 01 00 00
{3834554} normal block at 0x00000163A7AAEEC0, 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 0x00000163A7A592A0, 8 bytes long.
Data: < 8‰©c > A0 38 89 A9 63 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000163A7A63AA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000163A7A4AAE0, 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 0x00000163A7A64FE0, 16 bytes long.
Data: <Ø\¦§c > D8 5C A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000163A7A64F90, 16 bytes long.
Data: <°\¦§c > B0 5C A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000163A7A5FF60, 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 0x00000163A7A65710, 16 bytes long.
Data: < \¦§c > 88 5C A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000163A7A656C0, 16 bytes long.
Data: <`\¦§c > 60 5C A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000163A7A64F40, 16 bytes long.
Data: <8\¦§c > 38 5C A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000163A7A649F0, 16 bytes long.
Data: < \¦§c > 10 5C A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000163A7A5E290, 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 0x00000163A7A64DB0, 16 bytes long.
Data: < 褧c > 88 E8 A4 A7 63 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000163A7A5F9C0, 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 0x00000163A7A65670, 16 bytes long.
Data: <`褧c > 60 E8 A4 A7 63 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000163A7A65620, 16 bytes long.
Data: <8褧c > 38 E8 A4 A7 63 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000163A7A64C70, 16 bytes long.
Data: < 褧c > 10 E8 A4 A7 63 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000163A7A655D0, 16 bytes long.
Data: <è礧c > E8 E7 A4 A7 63 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000163A7A65940, 16 bytes long.
Data: <À礧c > C0 E7 A4 A7 63 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000163A7A64B80, 16 bytes long.
Data: < 礧c > 98 E7 A4 A7 63 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000163A7A5F900, 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 0x00000163A7A64C20, 16 bytes long.
Data: <p礧c > 70 E7 A4 A7 63 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000163A7A4E770, 320 bytes long.
Data: < L¦§c ù¥§c > 20 4C A6 A7 63 01 00 00 00 F9 A5 A7 63 01 00 00
{270} normal block at 0x00000163A7A64B30, 16 bytes long.
Data: <ð[¦§c > F0 5B A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000163A7A653A0, 16 bytes long.
Data: <È[¦§c > C8 5B A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000163A7A5FEA0, 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 0x00000163A7A651C0, 16 bytes long.
Data: < [¦§c > A0 5B A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000163A7A5F600, 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 0x00000163A7A64EF0, 16 bytes long.
Data: <èZ¦§c > E8 5A A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000163A7A65800, 16 bytes long.
Data: <ÀZ¦§c > C0 5A A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000163A7A64EA0, 16 bytes long.
Data: < Z¦§c > 98 5A A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000163A7A658A0, 16 bytes long.
Data: <pZ¦§c > 70 5A A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000163A7A65490, 16 bytes long.
Data: <HZ¦§c > 48 5A A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000163A7A65260, 16 bytes long.
Data: < Z¦§c > 20 5A A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000163A7A64BD0, 16 bytes long.
Data: < ߥ§c > 80 DF A5 A7 63 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000163A7A5DF80, 40 bytes long.
Data: <ÐK¦§c 𠨧c > D0 4B A6 A7 63 01 00 00 F0 7F A8 A7 63 01 00 00
{256} normal block at 0x00000163A7A65580, 16 bytes long.
Data: < Z¦§c > 00 5A A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000163A7A65300, 16 bytes long.
Data: <ØY¦§c > D8 59 A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000163A7A5F7E0, 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 0x00000163A7A652B0, 16 bytes long.
Data: <°Y¦§c > B0 59 A6 A7 63 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000163A7A659B0, 992 bytes long.
Data: <°R¦§c à÷¥§c > B0 52 A6 A7 63 01 00 00 E0 F7 A5 A7 63 01 00 00
{88} normal block at 0x00000163A7A5F540, 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 0x00000163A7A595C0, 16 bytes long.
Data: <0Þ¥§c > 30 DE A5 A7 63 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000163A7A5DE30, 40 bytes long.
Data: <À•¥§c @õ¥§c > C0 95 A5 A7 63 01 00 00 40 F5 A5 A7 63 01 00 00
{65} normal block at 0x00000163A7A59200, 16 bytes long.
Data: < êýsö > 80 EA FD 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000163A7A5A010, 16 bytes long.
Data: <@éýsö > 40 E9 FD 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000163A7A59930, 16 bytes long.
Data: <øWúsö > F8 57 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000163A7A59C00, 16 bytes long.
Data: <ØWúsö > D8 57 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000163A7A59E30, 16 bytes long.
Data: <P úsö > 50 04 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000163A7A598E0, 16 bytes long.
Data: <0 úsö > 30 04 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000163A7A59610, 16 bytes long.
Data: <à úsö > E0 02 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000163A7A59660, 16 bytes long.
Data: < úsö > 10 04 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000163A7A59570, 16 bytes long.
Data: <p úsö > 70 04 FA 73 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000163A7A59ED0, 16 bytes long.
Data: < Àøsö > 18 C0 F8 73 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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