Task 38599717
| Name | p38_A34_A11_r0_5-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND5064_4 |
| Workunit | 31553453 |
| Created | 8 Apr 2026, 20:25:50 UTC |
| Sent | 8 Apr 2026, 20:26:03 UTC |
| Report deadline | 13 Apr 2026, 20:26:03 UTC |
| Received | 9 Apr 2026, 1:23:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648402 |
| Run time | 4 hours 57 min 30 sec |
| CPU time | 4 hours 35 min 35 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 20,674.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 676.95 MB |
| Peak swap size | 3.88 GB |
| Peak disk usage | 3.01 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:27:19 (98452): wrapper (7.9.26016): starting
16:27:19 (98452): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A11_0.pdb
QB_A34_A11_0.xml
QB_A34_A11.inpcrd
QB_A34_A11_input.yaml
QB_A34_A11.pdb
QB_A34_A11.prmtop
QB_A34_A11_sys.xml
run.bat
run.sh
16:27:21 (98452): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:27:21 (98452): 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:\ProgramData\BOINC\slots\1\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:\ProgramData\BOINC\slots\1\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
21:23:36 (98452): C:/Windows/system32/cmd.exe exited; CPU time 16535.359375
21:23:36 (98452): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 395496307 bytes.
Dumping objects ->
{3835608} normal block at 0x000001D5C5FEA740, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835597} normal block at 0x000001D5C4267900, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835586} normal block at 0x000001D5C4267890, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835575} normal block at 0x000001D5C4267820, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835564} normal block at 0x000001D5C42675F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835533} normal block at 0x000001D5C5F99150, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835520} normal block at 0x000001D5C425D9C0, 8 bytes long.
Data: < sÄÕ > 00 00 73 C4 D5 01 00 00
{3833969} normal block at 0x000001D5C425DDD0, 8 bytes long.
Data: < ûÅÕ > 90 0A FB C5 D5 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D5C4251590, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001D5C42523C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001D5C4268A60, 16 bytes long.
Data: <x &ÄÕ > 78 90 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D5C4268970, 16 bytes long.
Data: <P &ÄÕ > 50 90 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D5C425FC70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001D5C4268BA0, 16 bytes long.
Data: <( &ÄÕ > 28 90 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D5C4267E30, 16 bytes long.
Data: < &ÄÕ > 00 90 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D5C4268470, 16 bytes long.
Data: <Ø &ÄÕ > D8 8F 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D5C42688D0, 16 bytes long.
Data: <° &ÄÕ > B0 8F 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D5C4267B30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001D5C4267D90, 16 bytes long.
Data: <Èú$ÄÕ > C8 FA 24 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D5C4260930, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001D5C4268100, 16 bytes long.
Data: < ú$ÄÕ > A0 FA 24 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D5C4268880, 16 bytes long.
Data: <xú$ÄÕ > 78 FA 24 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D5C4268A10, 16 bytes long.
Data: <Pú$ÄÕ > 50 FA 24 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D5C4267ED0, 16 bytes long.
Data: <(ú$ÄÕ > 28 FA 24 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D5C4268740, 16 bytes long.
Data: < ú$ÄÕ > 00 FA 24 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D5C4268AB0, 16 bytes long.
Data: <Øù$ÄÕ > D8 F9 24 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D5C4260A50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001D5C4267DE0, 16 bytes long.
Data: <°ù$ÄÕ > B0 F9 24 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D5C424F9B0, 320 bytes long.
Data: <à}&ÄÕ P &ÄÕ > E0 7D 26 C4 D5 01 00 00 50 0A 26 C4 D5 01 00 00
{280} normal block at 0x000001D5C42687E0, 16 bytes long.
Data: < &ÄÕ > 90 8F 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D5C4268920, 16 bytes long.
Data: <h &ÄÕ > 68 8F 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D5C4260870, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001D5C4267FC0, 16 bytes long.
Data: <@ &ÄÕ > 40 8F 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D5C4260750, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001D5C4267F70, 16 bytes long.
Data: < Ž&ÄÕ > 88 8E 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D5C4268C90, 16 bytes long.
Data: <`Ž&ÄÕ > 60 8E 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D5C42685B0, 16 bytes long.
Data: <8Ž&ÄÕ > 38 8E 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D5C4268830, 16 bytes long.
Data: < Ž&ÄÕ > 10 8E 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D5C42689C0, 16 bytes long.
Data: <è &ÄÕ > E8 8D 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D5C42681A0, 16 bytes long.
Data: <À &ÄÕ > C0 8D 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D5C4268BF0, 16 bytes long.
Data: <ày&ÄÕ > E0 79 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D5C42679E0, 40 bytes long.
Data: <ð‹&ÄÕ P‘ùÅÕ > F0 8B 26 C4 D5 01 00 00 50 91 F9 C5 D5 01 00 00
{266} normal block at 0x000001D5C4268240, 16 bytes long.
Data: <  &ÄÕ > A0 8D 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D5C4267E80, 16 bytes long.
Data: <x &ÄÕ > 78 8D 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D5C425FC10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001D5C42686F0, 16 bytes long.
Data: <P &ÄÕ > 50 8D 26 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D5C4268D50, 992 bytes long.
Data: <ð†&ÄÕ ü%ÄÕ > F0 86 26 C4 D5 01 00 00 10 FC 25 C4 D5 01 00 00
{98} normal block at 0x000001D5C42609F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001D5C425E5A0, 16 bytes long.
Data: < É$ÄÕ > 20 C9 24 C4 D5 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001D5C424C920, 40 bytes long.
Data: < å%ÄÕ ð &ÄÕ > A0 E5 25 C4 D5 01 00 00 F0 09 26 C4 D5 01 00 00
{75} normal block at 0x000001D5C425DC40, 16 bytes long.
Data: < êÒ ÷ > 80 EA D2 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001D5C425DB00, 16 bytes long.
Data: <@éÒ ÷ > 40 E9 D2 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001D5C425E000, 16 bytes long.
Data: <øWÏ ÷ > F8 57 CF 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D5C425E550, 16 bytes long.
Data: <ØWÏ ÷ > D8 57 CF 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D5C425E4B0, 16 bytes long.
Data: <P Ï ÷ > 50 04 CF 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D5C425D920, 16 bytes long.
Data: <0 Ï ÷ > 30 04 CF 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D5C425DB50, 16 bytes long.
Data: <à Ï ÷ > E0 02 CF 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D5C425DD80, 16 bytes long.
Data: < Ï ÷ > 10 04 CF 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D5C425DD30, 16 bytes long.
Data: <p Ï ÷ > 70 04 CF 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D5C425E0A0, 16 bytes long.
Data: < ÀÍ ÷ > 18 C0 CD 20 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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