Task 38636228
| Name | cdk8_A16_A31_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-5-6-RND6132_1 |
| Workunit | 31582402 |
| Created | 29 Apr 2026, 1:17:37 UTC |
| Sent | 29 Apr 2026, 1:17:48 UTC |
| Report deadline | 4 May 2026, 1:17:48 UTC |
| Received | 1 May 2026, 0:25:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631001 |
| Run time | 15 hours 47 min 34 sec |
| CPU time | 14 hours 19 min 29 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 13,077.80 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 944.04 MB |
| Peak swap size | 8.81 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:39:42 (27156): wrapper (7.9.26016): starting
04:39:42 (27156): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A31_0.pdb
QB_A16_A31_0.xml
QB_A16_A31.inpcrd
QB_A16_A31_input.yaml
QB_A16_A31.pdb
QB_A16_A31.prmtop
QB_A16_A31_sys.xml
run.bat
run.sh
04:39:44 (27156): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:39:44 (27156): 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\5\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\5\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
20:24:52 (27156): C:/Windows/system32/cmd.exe exited; CPU time 51569.468750
20:24:52 (27156): 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: 981995895 bytes.
Dumping objects ->
{3835430} normal block at 0x00000227E82AC420, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835419} normal block at 0x00000227E65F48F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835408} normal block at 0x00000227E65F4810, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835397} normal block at 0x00000227E65F4880, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835386} normal block at 0x00000227E65F4A40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835355} normal block at 0x00000227E82F58C0, 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) : {3835342} normal block at 0x00000227E65EDE30, 8 bytes long.
Data: < [æ' > 00 00 5B E6 27 02 00 00
{3833959} normal block at 0x00000227E65EDA70, 8 bytes long.
Data: <pÖ]æ' > 70 D6 5D E6 27 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000227E65E1320, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000227E65E1BE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000227E65F5920, 16 bytes long.
Data: <Ød_æ' > D8 64 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000227E65F54C0, 16 bytes long.
Data: <°d_æ' > B0 64 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000227E65F0A20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000227E65F5EC0, 16 bytes long.
Data: < d_æ' > 88 64 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000227E65F5E70, 16 bytes long.
Data: <`d_æ' > 60 64 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000227E65F60A0, 16 bytes long.
Data: <8d_æ' > 38 64 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000227E65F5DD0, 16 bytes long.
Data: < d_æ' > 10 64 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000227E65F4CE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000227E65F5D80, 16 bytes long.
Data: <¨ ^æ' > A8 06 5E E6 27 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000227E65F0FC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000227E65F5510, 16 bytes long.
Data: < ^æ' > 80 06 5E E6 27 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000227E65F6140, 16 bytes long.
Data: <X ^æ' > 58 06 5E E6 27 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000227E65F5470, 16 bytes long.
Data: <0 ^æ' > 30 06 5E E6 27 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000227E65F5E20, 16 bytes long.
Data: < ^æ' > 08 06 5E E6 27 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000227E65F5D30, 16 bytes long.
Data: <à ^æ' > E0 05 5E E6 27 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000227E65F5CE0, 16 bytes long.
Data: <¸ ^æ' > B8 05 5E E6 27 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000227E65F07E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000227E65F5C90, 16 bytes long.
Data: < ^æ' > 90 05 5E E6 27 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000227E65E0590, 320 bytes long.
Data: < \_æ' à _æ' > 90 5C 5F E6 27 02 00 00 E0 07 5F E6 27 02 00 00
{275} normal block at 0x00000227E65F5FB0, 16 bytes long.
Data: <ðc_æ' > F0 63 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000227E65F5380, 16 bytes long.
Data: <Èc_æ' > C8 63 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000227E65F0720, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000227E65F59C0, 16 bytes long.
Data: < c_æ' > A0 63 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000227E65F0900, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000227E65F5290, 16 bytes long.
Data: <èb_æ' > E8 62 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000227E65F5A60, 16 bytes long.
Data: <Àb_æ' > C0 62 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000227E65F5AB0, 16 bytes long.
Data: < b_æ' > 98 62 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000227E65F55B0, 16 bytes long.
Data: <pb_æ' > 70 62 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000227E65F6050, 16 bytes long.
Data: <Hb_æ' > 48 62 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000227E65F5970, 16 bytes long.
Data: < b_æ' > 20 62 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000227E65F5740, 16 bytes long.
Data: <ÀF_æ' > C0 46 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000227E65F46C0, 40 bytes long.
Data: <@W_æ' ÀX/è' > 40 57 5F E6 27 02 00 00 C0 58 2F E8 27 02 00 00
{261} normal block at 0x00000227E65F56F0, 16 bytes long.
Data: < b_æ' > 00 62 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000227E65F5B50, 16 bytes long.
Data: <Øa_æ' > D8 61 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000227E65F0840, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000227E65F5BA0, 16 bytes long.
Data: <°a_æ' > B0 61 5F E6 27 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000227E65F61B0, 992 bytes long.
Data: < [_æ' @ _æ' > A0 5B 5F E6 27 02 00 00 40 08 5F E6 27 02 00 00
{93} normal block at 0x00000227E65F0BA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000227E65EDCF0, 16 bytes long.
Data: < ã]æ' > 00 E3 5D E6 27 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000227E65DE300, 40 bytes long.
Data: <ðÜ^æ'   _æ' > F0 DC 5E E6 27 02 00 00 A0 0B 5F E6 27 02 00 00
{70} normal block at 0x00000227E65EDDE0, 16 bytes long.
Data: < ê:0÷ > 80 EA 3A 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000227E65ED750, 16 bytes long.
Data: <@é:0÷ > 40 E9 3A 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000227E65EDBB0, 16 bytes long.
Data: <øW70÷ > F8 57 37 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000227E65ED570, 16 bytes long.
Data: <ØW70÷ > D8 57 37 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000227E65ED7F0, 16 bytes long.
Data: <P 70÷ > 50 04 37 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000227E65ECEE0, 16 bytes long.
Data: <0 70÷ > 30 04 37 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000227E65EDC50, 16 bytes long.
Data: <à 70÷ > E0 02 37 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000227E65ED9D0, 16 bytes long.
Data: < 70÷ > 10 04 37 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000227E65ED6B0, 16 bytes long.
Data: <p 70÷ > 70 04 37 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000227E65EDD90, 16 bytes long.
Data: < À50÷ > 18 C0 35 30 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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