Task 38628160
| Name | cdk8_A02_A01_r0_2-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND6711_2 |
| Workunit | 31577185 |
| Created | 24 Apr 2026, 16:28:58 UTC |
| Sent | 24 Apr 2026, 16:29:47 UTC |
| Report deadline | 29 Apr 2026, 16:29:47 UTC |
| Received | 25 Apr 2026, 9:44:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 565480 |
| Run time | 10 hours 37 min 53 sec |
| CPU time | 9 hours 31 min 54 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 19,181.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 899.37 MB |
| Peak swap size | 2.72 GB |
| Peak disk usage | 3.18 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:06:31 (7384): wrapper (7.9.26016): starting
17:06:31 (7384): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A01_0.pdb
QB_A02_A01_0.xml
QB_A02_A01.inpcrd
QB_A02_A01_input.yaml
QB_A02_A01.pdb
QB_A02_A01.prmtop
QB_A02_A01_sys.xml
run.bat
run.sh
17:06:35 (7384): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:06:35 (7384): 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\3\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\3\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
03:41:16 (7384): C:/Windows/system32/cmd.exe exited; CPU time 34314.078125
03:41:16 (7384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 409294467 bytes.
Dumping objects ->
{3835251} normal block at 0x0000027A93E66790, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000027A93E66480, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x0000027A93E66020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x0000027A93E66330, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x0000027A93E662C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x0000027A93DCB5C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x0000027A923B2140, 235 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) : {3835162} normal block at 0x0000027A923A65B0, 8 bytes long.
Data: < 1’z > 00 00 31 92 7A 02 00 00
{3834555} normal block at 0x0000027A923B2D20, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x0000027A923A6F60, 8 bytes long.
Data: < yÖ“z > 00 79 D6 93 7A 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000027A923B00C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027A923AC3C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000027A923B0ED0, 16 bytes long.
Data: <È5;’z > C8 35 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027A923B12E0, 16 bytes long.
Data: < 5;’z > A0 35 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027A923AD0A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000027A923B1920, 16 bytes long.
Data: <x5;’z > 78 35 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027A923B1740, 16 bytes long.
Data: <P5;’z > 50 35 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027A923B1380, 16 bytes long.
Data: <(5;’z > 28 35 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027A923B1CE0, 16 bytes long.
Data: < 5;’z > 00 35 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027A923AB730, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000027A923B1290, 16 bytes long.
Data: <È[9’z > C8 5B 39 92 7A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027A923ACE00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000027A923B1C40, 16 bytes long.
Data: < [9’z > A0 5B 39 92 7A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027A923B1B50, 16 bytes long.
Data: <x[9’z > 78 5B 39 92 7A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027A923B1600, 16 bytes long.
Data: <P[9’z > 50 5B 39 92 7A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027A923B1420, 16 bytes long.
Data: <([9’z > 28 5B 39 92 7A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027A923B1DD0, 16 bytes long.
Data: < [9’z > 00 5B 39 92 7A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027A923B1B00, 16 bytes long.
Data: <ØZ9’z > D8 5A 39 92 7A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027A923AC560, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000027A923B1100, 16 bytes long.
Data: <°Z9’z > B0 5A 39 92 7A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027A92395AB0, 320 bytes long.
Data: < ;’z `Å:’z > 00 11 3B 92 7A 02 00 00 60 C5 3A 92 7A 02 00 00
{268} normal block at 0x0000027A923B15B0, 16 bytes long.
Data: <à4;’z > E0 34 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027A923B1880, 16 bytes long.
Data: <¸4;’z > B8 34 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027A923AD160, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000027A923B1BF0, 16 bytes long.
Data: < 4;’z > 90 34 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027A923AD2E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000027A923B1D30, 16 bytes long.
Data: <Ø3;’z > D8 33 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027A923B1330, 16 bytes long.
Data: <°3;’z > B0 33 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027A923B1E20, 16 bytes long.
Data: < 3;’z > 88 33 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027A923B13D0, 16 bytes long.
Data: <`3;’z > 60 33 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027A923B1560, 16 bytes long.
Data: <83;’z > 38 33 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027A923B1C90, 16 bytes long.
Data: < 3;’z > 10 33 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000027A923B1060, 16 bytes long.
Data: <`²:’z > 60 B2 3A 92 7A 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027A923AB260, 40 bytes long.
Data: <` ;’z ÀµÜ“z > 60 10 3B 92 7A 02 00 00 C0 B5 DC 93 7A 02 00 00
{254} normal block at 0x0000027A923B1AB0, 16 bytes long.
Data: <ð2;’z > F0 32 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000027A923B14C0, 16 bytes long.
Data: <È2;’z > C8 32 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000027A923ACDA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000027A923B1D80, 16 bytes long.
Data: < 2;’z > A0 32 3B 92 7A 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000027A923B32A0, 992 bytes long.
Data: < ;’z  Í:’z > 80 1D 3B 92 7A 02 00 00 A0 CD 3A 92 7A 02 00 00
{86} normal block at 0x0000027A923ACF80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000027A923A6600, 16 bytes long.
Data: < ´:’z > 90 B4 3A 92 7A 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000027A923AB490, 40 bytes long.
Data: < f:’z Ï:’z > 00 66 3A 92 7A 02 00 00 80 CF 3A 92 7A 02 00 00
{63} normal block at 0x0000027A923A72D0, 16 bytes long.
Data: < ê\]ö > 80 EA 5C 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027A923A69C0, 16 bytes long.
Data: <@é\]ö > 40 E9 5C 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027A923A6BA0, 16 bytes long.
Data: <øWY]ö > F8 57 59 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027A923A6D80, 16 bytes long.
Data: <ØWY]ö > D8 57 59 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027A923A6560, 16 bytes long.
Data: <P Y]ö > 50 04 59 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000027A923A6D30, 16 bytes long.
Data: <0 Y]ö > 30 04 59 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000027A923A6CE0, 16 bytes long.
Data: <à Y]ö > E0 02 59 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000027A923A66A0, 16 bytes long.
Data: < Y]ö > 10 04 59 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000027A923A6EC0, 16 bytes long.
Data: <p Y]ö > 70 04 59 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000027A923A7230, 16 bytes long.
Data: < ÀW]ö > 18 C0 57 5D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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