Task 38641269
| Name | MCL1_RE_A24_A27_r0_4-QUICO_ATM_GAFF2_NAGL_MCL1_RE-5-6-RND9188_1 |
| Workunit | 31588301 |
| Created | 2 May 2026, 11:03:01 UTC |
| Sent | 2 May 2026, 11:03:03 UTC |
| Report deadline | 7 May 2026, 11:03:03 UTC |
| Received | 2 May 2026, 19:06:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652185 |
| Run time | 1 hours 42 min 35 sec |
| CPU time | 1 hours 42 min 1 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 44,756.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 495.04 MB |
| Peak swap size | 6.63 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:23:57 (7660): wrapper (7.9.26016): starting
19:23:57 (7660): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A27_0.pdb
QB_A24_A27_0.xml
QB_A24_A27.inpcrd
QB_A24_A27_input.yaml
QB_A24_A27.pdb
QB_A24_A27.prmtop
QB_A24_A27_sys.xml
run.bat
run.sh
19:23:58 (7660): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:23:58 (7660): 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
21:05:55 (7660): C:/Windows/system32/cmd.exe exited; CPU time 6121.359375
21:05:55 (7660): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 87481227 bytes.
Dumping objects ->
{3835231} normal block at 0x000002ABF1778EB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x000002ABF1778820, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x000002ABF1778900, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835198} normal block at 0x000002ABF17793F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x000002ABF1778890, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835156} normal block at 0x000002ABF34348A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835145} normal block at 0x000002ABF17AD920, 141 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) : {3835142} normal block at 0x000002ABF1750290, 8 bytes long.
Data: < ºñ« > 00 00 BA F1 AB 02 00 00
{3834545} normal block at 0x000002ABF17ADAC0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000002ABF174FB10, 8 bytes long.
Data: < KIó« > A0 4B 49 F3 AB 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002ABF1745D80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002ABF1747B10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002ABF1755EC0, 16 bytes long.
Data: <xeuñ« > 78 65 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002ABF1755E70, 16 bytes long.
Data: <Peuñ« > 50 65 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002ABF1751300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002ABF1755D80, 16 bytes long.
Data: <(euñ« > 28 65 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002ABF1755DD0, 16 bytes long.
Data: < euñ« > 00 65 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002ABF1755D30, 16 bytes long.
Data: <Øduñ« > D8 64 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002ABF17561E0, 16 bytes long.
Data: <°duñ« > B0 64 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002ABF1753B80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002ABF1755740, 16 bytes long.
Data: <¸üsñ« > B8 FC 73 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002ABF1750B80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002ABF1755880, 16 bytes long.
Data: < üsñ« > 90 FC 73 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002ABF1755650, 16 bytes long.
Data: <hüsñ« > 68 FC 73 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002ABF1755AB0, 16 bytes long.
Data: <@üsñ« > 40 FC 73 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002ABF17554C0, 16 bytes long.
Data: < üsñ« > 18 FC 73 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002ABF1755420, 16 bytes long.
Data: <ðûsñ« > F0 FB 73 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002ABF1755CE0, 16 bytes long.
Data: <Èûsñ« > C8 FB 73 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002ABF1751180, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002ABF17555B0, 16 bytes long.
Data: < ûsñ« > A0 FB 73 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002ABF173FBA0, 320 bytes long.
Data: <°Uuñ« uñ« > B0 55 75 F1 AB 02 00 00 80 11 75 F1 AB 02 00 00
{277} normal block at 0x000002ABF17556F0, 16 bytes long.
Data: < duñ« > 90 64 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002ABF1755E20, 16 bytes long.
Data: <hduñ« > 68 64 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002ABF17510C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002ABF1755C90, 16 bytes long.
Data: <@duñ« > 40 64 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002ABF1751420, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002ABF17560A0, 16 bytes long.
Data: < cuñ« > 88 63 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002ABF1755600, 16 bytes long.
Data: <`cuñ« > 60 63 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002ABF17556A0, 16 bytes long.
Data: <8cuñ« > 38 63 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002ABF1755A60, 16 bytes long.
Data: < cuñ« > 10 63 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002ABF1755C40, 16 bytes long.
Data: <èbuñ« > E8 62 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002ABF1755920, 16 bytes long.
Data: <Àbuñ« > C0 62 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002ABF1755BF0, 16 bytes long.
Data: <ð;uñ« > F0 3B 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002ABF1753BF0, 40 bytes long.
Data: <ð[uñ«  HCó« > F0 5B 75 F1 AB 02 00 00 A0 48 43 F3 AB 02 00 00
{263} normal block at 0x000002ABF1755A10, 16 bytes long.
Data: < buñ« > A0 62 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002ABF1755470, 16 bytes long.
Data: <xbuñ« > 78 62 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002ABF17513C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002ABF17559C0, 16 bytes long.
Data: <Pbuñ« > 50 62 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002ABF1756250, 992 bytes long.
Data: <ÀYuñ« À uñ« > C0 59 75 F1 AB 02 00 00 C0 13 75 F1 AB 02 00 00
{95} normal block at 0x000002ABF17508E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002ABF174F840, 16 bytes long.
Data: < 8uñ« > 00 38 75 F1 AB 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002ABF1753800, 40 bytes long.
Data: <@øtñ« à uñ« > 40 F8 74 F1 AB 02 00 00 E0 08 75 F1 AB 02 00 00
{72} normal block at 0x000002ABF174F9D0, 16 bytes long.
Data: < êôM÷ > 80 EA F4 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002ABF1750420, 16 bytes long.
Data: <@éôM÷ > 40 E9 F4 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002ABF174FD90, 16 bytes long.
Data: <øWñM÷ > F8 57 F1 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002ABF174F7A0, 16 bytes long.
Data: <ØWñM÷ > D8 57 F1 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002ABF17504C0, 16 bytes long.
Data: <P ñM÷ > 50 04 F1 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002ABF1750650, 16 bytes long.
Data: <0 ñM÷ > 30 04 F1 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002ABF174FCF0, 16 bytes long.
Data: <à ñM÷ > E0 02 F1 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002ABF174FCA0, 16 bytes long.
Data: < ñM÷ > 10 04 F1 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002ABF174FAC0, 16 bytes long.
Data: <p ñM÷ > 70 04 F1 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002ABF174FC50, 16 bytes long.
Data: < ÀïM÷ > 18 C0 EF 4D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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