Task 38627265
| Name | cdk8_A13_A01_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND6292_0 |
| Workunit | 31577268 |
| Created | 24 Apr 2026, 11:39:18 UTC |
| Sent | 24 Apr 2026, 12:12:57 UTC |
| Report deadline | 29 Apr 2026, 12:12:57 UTC |
| Received | 24 Apr 2026, 22:33:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637164 |
| Run time | 3 hours 40 min 5 sec |
| CPU time | 3 hours 33 min 36 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,359.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 1.01 GB |
| Peak swap size | 25.50 GB |
| Peak disk usage | 3.18 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:53:02 (172148): wrapper (7.9.26016): starting
13:53:02 (172148): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A01_0.pdb
QB_A13_A01_0.xml
QB_A13_A01.inpcrd
QB_A13_A01_input.yaml
QB_A13_A01.pdb
QB_A13_A01.prmtop
QB_A13_A01_sys.xml
run.bat
run.sh
13:53:03 (172148): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:53:03 (172148): 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
17:32:33 (172148): C:/Windows/system32/cmd.exe exited; CPU time 12816.953125
17:32:33 (172148): 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: 192589445 bytes.
Dumping objects ->
{3835319} normal block at 0x0000029346BA4BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835308} normal block at 0x0000029346BA4990, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835297} normal block at 0x0000029346BA4E60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835286} normal block at 0x0000029346BA4CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x0000029346BA4C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835244} normal block at 0x0000029344D0DF20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x0000029346B30AA0, 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) : {3835230} normal block at 0x0000029344C2DF70, 8 bytes long.
Data: < »D“ > 00 00 BB 44 93 02 00 00
{3834578} normal block at 0x0000029346B309F0, 102 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 0x0000029344C2E7E0, 8 bytes long.
Data: < 1ºF“ > 00 31 BA 46 93 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029344C213D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029344C21CC0, 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 0x0000029344C38130, 16 bytes long.
Data: < ‡ÃD“ > 98 87 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029344C37640, 16 bytes long.
Data: <p‡ÃD“ > 70 87 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029344C32130, 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 0x0000029344C38220, 16 bytes long.
Data: <H‡ÃD“ > 48 87 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029344C37960, 16 bytes long.
Data: < ‡ÃD“ > 20 87 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029344C37A50, 16 bytes long.
Data: <ø†ÃD“ > F8 86 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029344C381D0, 16 bytes long.
Data: <ІÃD“ > D0 86 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029344C35270, 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 0x0000029344C37910, 16 bytes long.
Data: < ýÁD“ > 18 FD C1 44 93 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029344C32550, 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 0x0000029344C37870, 16 bytes long.
Data: <ðüÁD“ > F0 FC C1 44 93 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029344C38360, 16 bytes long.
Data: <ÈüÁD“ > C8 FC C1 44 93 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029344C37C30, 16 bytes long.
Data: < üÁD“ > A0 FC C1 44 93 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029344C37BE0, 16 bytes long.
Data: <xüÁD“ > 78 FC C1 44 93 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029344C375F0, 16 bytes long.
Data: <PüÁD“ > 50 FC C1 44 93 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029344C37820, 16 bytes long.
Data: <(üÁD“ > 28 FC C1 44 93 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029344C32250, 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 0x0000029344C375A0, 16 bytes long.
Data: < üÁD“ > 00 FC C1 44 93 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029344C1FC00, 320 bytes long.
Data: < uÃD“ P"ÃD“ > A0 75 C3 44 93 02 00 00 50 22 C3 44 93 02 00 00
{276} normal block at 0x0000029344C37D70, 16 bytes long.
Data: <°†ÃD“ > B0 86 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029344C374B0, 16 bytes long.
Data: < †ÃD“ > 88 86 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029344C31E30, 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 0x0000029344C38180, 16 bytes long.
Data: <`†ÃD“ > 60 86 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029344C325B0, 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 0x0000029344C37FA0, 16 bytes long.
Data: <¨…ÃD“ > A8 85 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029344C37550, 16 bytes long.
Data: < …ÃD“ > 80 85 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029344C37F00, 16 bytes long.
Data: <X…ÃD“ > 58 85 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029344C37730, 16 bytes long.
Data: <0…ÃD“ > 30 85 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029344C380E0, 16 bytes long.
Data: < …ÃD“ > 08 85 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029344C376E0, 16 bytes long.
Data: <à„ÃD“ > E0 84 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029344C38310, 16 bytes long.
Data: <0MÃD“ > 30 4D C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029344C34D30, 40 bytes long.
Data: < ƒÃD“ ßÐD“ > 10 83 C3 44 93 02 00 00 20 DF D0 44 93 02 00 00
{262} normal block at 0x0000029344C378C0, 16 bytes long.
Data: <À„ÃD“ > C0 84 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029344C38400, 16 bytes long.
Data: < „ÃD“ > 98 84 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029344C31DD0, 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 0x0000029344C37F50, 16 bytes long.
Data: <p„ÃD“ > 70 84 C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029344C38470, 992 bytes long.
Data: <P ÃD“ Ð ÃD“ > 50 7F C3 44 93 02 00 00 D0 1D C3 44 93 02 00 00
{94} normal block at 0x0000029344C32070, 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 0x0000029344C2E650, 16 bytes long.
Data: < MÃD“ > A0 4D C3 44 93 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000029344C34DA0, 40 bytes long.
Data: <PæÂD“ p ÃD“ > 50 E6 C2 44 93 02 00 00 70 20 C3 44 93 02 00 00
{71} normal block at 0x0000029344C2EE70, 16 bytes long.
Data: < êkgö > 80 EA 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029344C2E060, 16 bytes long.
Data: <@ékgö > 40 E9 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029344C2EEC0, 16 bytes long.
Data: <øWhgö > F8 57 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029344C2E740, 16 bytes long.
Data: <ØWhgö > D8 57 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029344C2E5B0, 16 bytes long.
Data: <P hgö > 50 04 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029344C2E560, 16 bytes long.
Data: <0 hgö > 30 04 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029344C2E600, 16 bytes long.
Data: <à hgö > E0 02 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029344C2EE20, 16 bytes long.
Data: < hgö > 10 04 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029344C2E6A0, 16 bytes long.
Data: <p hgö > 70 04 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029344C2E010, 16 bytes long.
Data: < Àfgö > 18 C0 66 67 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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