Task 38643829
| Name | cdk8_A16_A10_r0_2-QUICO_ATM_GAFF2_NAGL_cdk8-4-6-RND1493_0 |
| Workunit | 31589867 |
| Created | 7 May 2026, 20:15:12 UTC |
| Sent | 7 May 2026, 20:15:20 UTC |
| Report deadline | 12 May 2026, 20:15:20 UTC |
| Received | 8 May 2026, 18:28:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642213 |
| Run time | 22 hours 5 min 46 sec |
| CPU time | 21 hours 35 min 30 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 6,952.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 936.96 MB |
| Peak swap size | 5.70 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:22:17 (11572): wrapper (7.9.26016): starting
15:22:17 (11572): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A10_0.pdb
QB_A16_A10_0.xml
QB_A16_A10.inpcrd
QB_A16_A10_input.yaml
QB_A16_A10.pdb
QB_A16_A10.prmtop
QB_A16_A10_sys.xml
run.bat
run.sh
15:22:31 (11572): Library/usr/bin/tar.exe exited; CPU time 0.109375
15:22:31 (11572): 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\12\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\12\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
13:27:44 (11572): C:/Windows/system32/cmd.exe exited; CPU time 77730.406250
13:27:44 (11572): 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: 1212270107 bytes.
Dumping objects ->
{3835310} normal block at 0x000001F1FDDE31D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835299} normal block at 0x000001F1FC0E4A30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835288} normal block at 0x000001F1FC0E4E20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835277} normal block at 0x000001F1FC0E4DB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x000001F1FC0E4CD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835235} normal block at 0x000001F1FDD5A880, 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) : {3835222} normal block at 0x000001F1FC0DCDD0, 8 bytes long.
Data: < üñ > 00 00 09 FC F1 01 00 00
{3833943} normal block at 0x000001F1FC0DD0F0, 8 bytes long.
Data: <@ØÖýñ > 40 D8 D6 FD F1 01 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001F1FC0D1040, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F1FC0D19B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x000001F1FC0E5C90, 16 bytes long.
Data: < f üñ > 18 66 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F1FC0E5C40, 16 bytes long.
Data: <ðe üñ > F0 65 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F1FC0E0F80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x000001F1FC0E60F0, 16 bytes long.
Data: <Èe üñ > C8 65 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F1FC0E5EC0, 16 bytes long.
Data: < e üñ > A0 65 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F1FC0E57E0, 16 bytes long.
Data: <xe üñ > 78 65 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F1FC0E5330, 16 bytes long.
Data: <Pe üñ > 50 65 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F1FC0E49C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x000001F1FC0E6280, 16 bytes long.
Data: < ð üñ > 18 F0 0C FC F1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F1FC0E0560, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x000001F1FC0E5CE0, 16 bytes long.
Data: <ðï üñ > F0 EF 0C FC F1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F1FC0E59C0, 16 bytes long.
Data: <Èï üñ > C8 EF 0C FC F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F1FC0E5970, 16 bytes long.
Data: < ï üñ > A0 EF 0C FC F1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F1FC0E5650, 16 bytes long.
Data: <xï üñ > 78 EF 0C FC F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F1FC0E61E0, 16 bytes long.
Data: <Pï üñ > 50 EF 0C FC F1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F1FC0E58D0, 16 bytes long.
Data: <(ï üñ > 28 EF 0C FC F1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F1FC0E0440, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x000001F1FC0E5BA0, 16 bytes long.
Data: < ï üñ > 00 EF 0C FC F1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F1FC0CEF00, 320 bytes long.
Data: < [ üñ @ üñ > A0 5B 0E FC F1 01 00 00 40 04 0E FC F1 01 00 00
{267} normal block at 0x000001F1FC0E5B50, 16 bytes long.
Data: <0e üñ > 30 65 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F1FC0E6050, 16 bytes long.
Data: < e üñ > 08 65 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F1FC0E0C80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x000001F1FC0E5AB0, 16 bytes long.
Data: <àd üñ > E0 64 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F1FC0E0CE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x000001F1FC0E54C0, 16 bytes long.
Data: <(d üñ > 28 64 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F1FC0E5D30, 16 bytes long.
Data: < d üñ > 00 64 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F1FC0E5740, 16 bytes long.
Data: <Øc üñ > D8 63 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F1FC0E5F10, 16 bytes long.
Data: <°c üñ > B0 63 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F1FC0E6000, 16 bytes long.
Data: < c üñ > 88 63 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F1FC0E5A60, 16 bytes long.
Data: <`c üñ > 60 63 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F1FC0E6230, 16 bytes long.
Data: < J üñ > A0 4A 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F1FC0E4AA0, 40 bytes long.
Data: <0b üñ ¨Õýñ > 30 62 0E FC F1 01 00 00 80 A8 D5 FD F1 01 00 00
{253} normal block at 0x000001F1FC0E5A10, 16 bytes long.
Data: <@c üñ > 40 63 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F1FC0E5920, 16 bytes long.
Data: < c üñ > 18 63 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001F1FC0E0BC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x000001F1FC0E5B00, 16 bytes long.
Data: <ðb üñ > F0 62 0E FC F1 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000001F1FC0E62F0, 992 bytes long.
Data: < [ üñ À üñ > 00 5B 0E FC F1 01 00 00 C0 0B 0E FC F1 01 00 00
{85} normal block at 0x000001F1FC0E09E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x000001F1FC0DCF60, 16 bytes long.
Data: <0¿ üñ > 30 BF 0C FC F1 01 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001F1FC0CBF30, 40 bytes long.
Data: <`Ï üñ à üñ > 60 CF 0D FC F1 01 00 00 E0 09 0E FC F1 01 00 00
{62} normal block at 0x000001F1FC0DD0A0, 16 bytes long.
Data: < êP®÷ > 80 EA 50 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F1FC0DD550, 16 bytes long.
Data: <@éP®÷ > 40 E9 50 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F1FC0DD050, 16 bytes long.
Data: <øWM®÷ > F8 57 4D AE F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F1FC0DCE20, 16 bytes long.
Data: <ØWM®÷ > D8 57 4D AE F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F1FC0DD9B0, 16 bytes long.
Data: <P M®÷ > 50 04 4D AE F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F1FC0DD5A0, 16 bytes long.
Data: <0 M®÷ > 30 04 4D AE F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F1FC0DD3C0, 16 bytes long.
Data: <à M®÷ > E0 02 4D AE F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001F1FC0DD000, 16 bytes long.
Data: < M®÷ > 10 04 4D AE F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001F1FC0DD230, 16 bytes long.
Data: <p M®÷ > 70 04 4D AE F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001F1FC0DCCE0, 16 bytes long.
Data: < ÀK®÷ > 18 C0 4B AE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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