Task 38612628
| Name | p38_A27_A18_r0_5-QUICO_ATM_OpenFF_p38-3-6-RND9863_0 |
| Workunit | 31565214 |
| Created | 16 Apr 2026, 9:41:08 UTC |
| Sent | 16 Apr 2026, 9:41:22 UTC |
| Report deadline | 21 Apr 2026, 9:41:22 UTC |
| Received | 16 Apr 2026, 12:47:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645105 |
| Run time | 3 hours 5 min 49 sec |
| CPU time | 3 hours 7 min 58 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 44,616.49 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 760.42 MB |
| Peak swap size | 8.54 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
18:42:22 (23524): wrapper (7.9.26016): starting
18:42:22 (23524): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A18_0.pdb
QB_A27_A18_0.xml
QB_A27_A18.inpcrd
QB_A27_A18_input.yaml
QB_A27_A18.pdb
QB_A27_A18.prmtop
QB_A27_A18_sys.xml
run.bat
run.sh
18:42:23 (23524): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:42:23 (23524): 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\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 'C:\ProgramData\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
21:45:44 (23524): C:/Windows/system32/cmd.exe exited; CPU time 11278.078125
21:45:44 (23524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 212318043 bytes.
Dumping objects ->
{3835599} normal block at 0x000001B6A3709710, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835588} normal block at 0x000001B6A37096A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835577} normal block at 0x000001B6A3709630, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835566} normal block at 0x000001B6A3638850, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835555} normal block at 0x000001B6A3638B60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835524} normal block at 0x000001B6A581B4A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835513} normal block at 0x000001B6A58334F0, 102 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) : {3835510} normal block at 0x000001B6A362F2F0, 8 bytes long.
Data: < ´£¶ > 00 00 B4 A3 B6 01 00 00
{3834778} normal block at 0x000001B6A5833230, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834065} normal block at 0x000001B6A362F610, 8 bytes long.
Data: < ¤ ¥¶ > 80 A4 8A A5 B6 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B6A3627090, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B6A36272E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001B6A363B480, 16 bytes long.
Data: <h¸c£¶ > 68 B8 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B6A363AC60, 16 bytes long.
Data: <@¸c£¶ > 40 B8 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B6A3634450, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001B6A363B430, 16 bytes long.
Data: < ¸c£¶ > 18 B8 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B6A363B200, 16 bytes long.
Data: < ·c£¶ > F0 B7 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B6A363B390, 16 bytes long.
Data: <È·c£¶ > C8 B7 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B6A363AE40, 16 bytes long.
Data: < ·c£¶ > A0 B7 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B6A3638770, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001B6A363B160, 16 bytes long.
Data: <x-b£¶ > 78 2D 62 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B6A3635110, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001B6A363A670, 16 bytes long.
Data: <P-b£¶ > 50 2D 62 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B6A363A8A0, 16 bytes long.
Data: <(-b£¶ > 28 2D 62 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B6A363ABC0, 16 bytes long.
Data: < -b£¶ > 00 2D 62 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B6A363B020, 16 bytes long.
Data: <Ø,b£¶ > D8 2C 62 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B6A363ADA0, 16 bytes long.
Data: <°,b£¶ > B0 2C 62 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B6A363B0C0, 16 bytes long.
Data: < ,b£¶ > 88 2C 62 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B6A36343F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001B6A363AA30, 16 bytes long.
Data: <`,b£¶ > 60 2C 62 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B6A3622C60, 320 bytes long.
Data: <0ªc£¶ Cc£¶ > 30 AA 63 A3 B6 01 00 00 F0 43 63 A3 B6 01 00 00
{278} normal block at 0x000001B6A363AC10, 16 bytes long.
Data: < ·c£¶ > 80 B7 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B6A363AFD0, 16 bytes long.
Data: <X·c£¶ > 58 B7 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B6A36350B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001B6A363B2F0, 16 bytes long.
Data: <0·c£¶ > 30 B7 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B6A36345D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001B6A363AB70, 16 bytes long.
Data: <x¶c£¶ > 78 B6 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B6A363A990, 16 bytes long.
Data: <P¶c£¶ > 50 B6 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B6A363AB20, 16 bytes long.
Data: <(¶c£¶ > 28 B6 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B6A363AF30, 16 bytes long.
Data: < ¶c£¶ > 00 B6 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B6A363B3E0, 16 bytes long.
Data: <صc£¶ > D8 B5 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B6A363B1B0, 16 bytes long.
Data: <°µc£¶ > B0 B5 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B6A363AD00, 16 bytes long.
Data: <Ð c£¶ > D0 8B 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B6A3638BD0, 40 bytes long.
Data: < ­c£¶ ´ ¥¶ > 00 AD 63 A3 B6 01 00 00 A0 B4 81 A5 B6 01 00 00
{264} normal block at 0x000001B6A363AF80, 16 bytes long.
Data: < µc£¶ > 90 B5 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B6A363B110, 16 bytes long.
Data: <hµc£¶ > 68 B5 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B6A36342D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001B6A363A9E0, 16 bytes long.
Data: <@µc£¶ > 40 B5 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B6A363B540, 992 bytes long.
Data: < ©c£¶ ÐBc£¶ > E0 A9 63 A3 B6 01 00 00 D0 42 63 A3 B6 01 00 00
{96} normal block at 0x000001B6A3634870, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001B6A362FF20, 16 bytes long.
Data: < c£¶ > 00 8E 63 A3 B6 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001B6A3638E00, 40 bytes long.
Data: < b£¶ pHc£¶ > 20 FF 62 A3 B6 01 00 00 70 48 63 A3 B6 01 00 00
{71} normal block at 0x000001B6A362FDE0, 16 bytes long.
Data: < À\ > 80 EA C0 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B6A362FA20, 16 bytes long.
Data: <@ À\ > 40 E9 C0 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B6A362F9D0, 16 bytes long.
Data: < W½\ > F8 57 BD 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B6A362F390, 16 bytes long.
Data: <ØW½\ > D8 57 BD 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B6A362FD40, 16 bytes long.
Data: <P ½\ > 50 04 BD 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B6A362F480, 16 bytes long.
Data: <0 ½\ > 30 04 BD 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B6A362F160, 16 bytes long.
Data: < ½\ > E0 02 BD 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B6A362F890, 16 bytes long.
Data: < ½\ > 10 04 BD 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B6A362F980, 16 bytes long.
Data: <p ½\ > 70 04 BD 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B6A362F070, 16 bytes long.
Data: < À»\ > 18 C0 BB 5C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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