Task 38622984
| Name | tnks2_A09_A15_r0_5-QUICO_ATM_GAFF2_NAGL_TNKS2-5-6-RND7068_0 |
| Workunit | 31573666 |
| Created | 21 Apr 2026, 3:21:19 UTC |
| Sent | 21 Apr 2026, 3:21:24 UTC |
| Report deadline | 26 Apr 2026, 3:21:24 UTC |
| Received | 21 Apr 2026, 11:41:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 3 hours 48 min 21 sec |
| CPU time | 3 hours 48 min 21 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 83,073.52 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 164.97 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 2.95 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
00:53:29 (7540): wrapper (7.9.26016): starting
00:53:29 (7540): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A15_0.pdb
QB_A09_A15_0.xml
QB_A09_A15.inpcrd
QB_A09_A15_input.yaml
QB_A09_A15.pdb
QB_A09_A15.prmtop
QB_A09_A15_sys.xml
run.bat
run.sh
00:53:30 (7540): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:53:30 (7540): 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
04:39:16 (7540): C:/Windows/system32/cmd.exe exited; CPU time 13701.062500
04:39:16 (7540): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 177981911 bytes.
Dumping objects ->
{3835322} normal block at 0x00000228E1483A10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835311} normal block at 0x00000228E1483BD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835300} normal block at 0x00000228E1484420, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835289} normal block at 0x00000228DF605620, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835278} normal block at 0x00000228DF6051C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835247} normal block at 0x00000228E13F9250, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x00000228E13202D0, 155 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) : {3835233} normal block at 0x00000228DF5FDF50, 8 bytes long.
Data: < Zß( > 00 00 5A DF 28 02 00 00
{3834585} normal block at 0x00000228E1320B90, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x00000228DF5FD2D0, 8 bytes long.
Data: < ×^ß( > 80 D7 5E DF 28 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000228DF5F16B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000228DF5F1C60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000228DF606590, 16 bytes long.
Data: < j`ß( > 18 6A 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000228DF6062C0, 16 bytes long.
Data: <ði`ß( > F0 69 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000228DF601570, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000228DF606270, 16 bytes long.
Data: <Èi`ß( > C8 69 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000228DF6061D0, 16 bytes long.
Data: < i`ß( > A0 69 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000228DF6057D0, 16 bytes long.
Data: <xi`ß( > 78 69 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000228DF605DC0, 16 bytes long.
Data: <Pi`ß( > 50 69 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000228DF6050E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000228DF605960, 16 bytes long.
Data: <Øò^ß( > D8 F2 5E DF 28 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000228DF600F70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000228DF606130, 16 bytes long.
Data: <°ò^ß( > B0 F2 5E DF 28 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000228DF605780, 16 bytes long.
Data: < ò^ß( > 88 F2 5E DF 28 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000228DF605C80, 16 bytes long.
Data: <`ò^ß( > 60 F2 5E DF 28 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000228DF605C30, 16 bytes long.
Data: <8ò^ß( > 38 F2 5E DF 28 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000228DF606090, 16 bytes long.
Data: < ò^ß( > 10 F2 5E DF 28 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000228DF605F00, 16 bytes long.
Data: <èñ^ß( > E8 F1 5E DF 28 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000228DF6011B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000228DF605FF0, 16 bytes long.
Data: <Àñ^ß( > C0 F1 5E DF 28 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000228DF5EF1C0, 320 bytes long.
Data: <ð_`ß( ° `ß( > F0 5F 60 DF 28 02 00 00 B0 11 60 DF 28 02 00 00
{276} normal block at 0x00000228DF606400, 16 bytes long.
Data: <0i`ß( > 30 69 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000228DF606310, 16 bytes long.
Data: < i`ß( > 08 69 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000228DF601330, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000228DF605EB0, 16 bytes long.
Data: <àh`ß( > E0 68 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000228DF600BB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000228DF605D70, 16 bytes long.
Data: <(h`ß( > 28 68 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000228DF606450, 16 bytes long.
Data: < h`ß( > 00 68 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000228DF6064A0, 16 bytes long.
Data: <Øg`ß( > D8 67 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000228DF605D20, 16 bytes long.
Data: <°g`ß( > B0 67 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000228DF605FA0, 16 bytes long.
Data: < g`ß( > 88 67 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000228DF606180, 16 bytes long.
Data: <`g`ß( > 60 67 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000228DF606220, 16 bytes long.
Data: <pP`ß( > 70 50 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000228DF605070, 40 bytes long.
Data: < b`ß( P’?á( > 20 62 60 DF 28 02 00 00 50 92 3F E1 28 02 00 00
{262} normal block at 0x00000228DF605BE0, 16 bytes long.
Data: <@g`ß( > 40 67 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000228DF6060E0, 16 bytes long.
Data: < g`ß( > 18 67 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000228DF6016F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000228DF606040, 16 bytes long.
Data: <ðf`ß( > F0 66 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000228DF6066F0, 992 bytes long.
Data: <@``ß( ð `ß( > 40 60 60 DF 28 02 00 00 F0 16 60 DF 28 02 00 00
{94} normal block at 0x00000228DF600E50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000228DF5FD230, 16 bytes long.
Data: < O`ß( > 20 4F 60 DF 28 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000228DF604F20, 40 bytes long.
Data: <0Ò_ß( P `ß( > 30 D2 5F DF 28 02 00 00 50 0E 60 DF 28 02 00 00
{71} normal block at 0x00000228DF5FD910, 16 bytes long.
Data: < êÁ ÷ > 80 EA C1 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000228DF5FDDC0, 16 bytes long.
Data: <@éÁ ÷ > 40 E9 C1 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000228DF5FD690, 16 bytes long.
Data: <øW¾ ÷ > F8 57 BE 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000228DF5FD0F0, 16 bytes long.
Data: <ØW¾ ÷ > D8 57 BE 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000228DF5FD410, 16 bytes long.
Data: <P ¾ ÷ > 50 04 BE 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000228DF5FD1E0, 16 bytes long.
Data: <0 ¾ ÷ > 30 04 BE 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000228DF5FD500, 16 bytes long.
Data: <à ¾ ÷ > E0 02 BE 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000228DF5FDF00, 16 bytes long.
Data: < ¾ ÷ > 10 04 BE 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000228DF5FD0A0, 16 bytes long.
Data: <p ¾ ÷ > 70 04 BE 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000228DF5FD820, 16 bytes long.
Data: < À¼ ÷ > 18 C0 BC 8F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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