Task 38625778
| Name | PTP1B_A08_A06_r0_4-QUICO_ATM_OpenFF23_NAGL_PTP1B-2-6-RND7355_0 |
| Workunit | 31575932 |
| Created | 24 Apr 2026, 1:01:30 UTC |
| Sent | 24 Apr 2026, 1:01:35 UTC |
| Report deadline | 29 Apr 2026, 1:01:35 UTC |
| Received | 24 Apr 2026, 3:50:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 636627 |
| Run time | 2 hours 41 min 39 sec |
| CPU time | 2 hours 28 min 40 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 53,462.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 596.21 MB |
| Peak swap size | 6.84 GB |
| Peak disk usage | 2.98 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
21:06:49 (7056): wrapper (7.9.26016): starting
21:06:49 (7056): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A06_0.pdb
QB_A08_A06_0.xml
QB_A08_A06.inpcrd
QB_A08_A06_input.yaml
QB_A08_A06.pdb
QB_A08_A06.prmtop
QB_A08_A06_sys.xml
run.bat
run.sh
21:06:50 (7056): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:06:50 (7056): 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
23:47:40 (7056): C:/Windows/system32/cmd.exe exited; CPU time 8920.671875
23:47:40 (7056): 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: 145456973 bytes.
Dumping objects ->
{3835578} normal block at 0x00000284BC8BF7E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835567} normal block at 0x00000284BC8BFA10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835556} normal block at 0x00000284BAB84B30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835545} normal block at 0x00000284BAB84AC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835534} normal block at 0x00000284BAB849E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835503} normal block at 0x00000284BC936540, 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) : {3835490} normal block at 0x00000284BAB7D730, 8 bytes long.
Data: < _¼„ > 00 00 5F BC 84 02 00 00
{3833951} normal block at 0x00000284BAB7E0E0, 8 bytes long.
Data: <@Ù¶º„ > 40 D9 B6 BA 84 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000284BAB70E70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000284BAB72180, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000284BAB85D00, 16 bytes long.
Data: <hh¸º„ > 68 68 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000284BAB85E40, 16 bytes long.
Data: <@h¸º„ > 40 68 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000284BAB81410, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000284BAB85A30, 16 bytes long.
Data: < h¸º„ > 18 68 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000284BAB85620, 16 bytes long.
Data: <ðg¸º„ > F0 67 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000284BAB855D0, 16 bytes long.
Data: <Èg¸º„ > C8 67 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000284BAB85580, 16 bytes long.
Data: < g¸º„ > A0 67 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000284BAB84BA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000284BAB857B0, 16 bytes long.
Data: <x ·º„ > 78 09 B7 BA 84 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000284BAB80BD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000284BAB859E0, 16 bytes long.
Data: <P ·º„ > 50 09 B7 BA 84 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000284BAB864D0, 16 bytes long.
Data: <( ·º„ > 28 09 B7 BA 84 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000284BAB86430, 16 bytes long.
Data: < ·º„ > 00 09 B7 BA 84 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000284BAB85760, 16 bytes long.
Data: <Ø ·º„ > D8 08 B7 BA 84 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000284BAB86480, 16 bytes long.
Data: <° ·º„ > B0 08 B7 BA 84 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000284BAB85850, 16 bytes long.
Data: < ·º„ > 88 08 B7 BA 84 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000284BAB80AB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000284BAB858F0, 16 bytes long.
Data: <` ·º„ > 60 08 B7 BA 84 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000284BAB70860, 320 bytes long.
Data: <ðX¸º„ ° ¸º„ > F0 58 B8 BA 84 02 00 00 B0 0A B8 BA 84 02 00 00
{271} normal block at 0x00000284BAB85800, 16 bytes long.
Data: < g¸º„ > 80 67 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000284BAB85DF0, 16 bytes long.
Data: <Xg¸º„ > 58 67 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000284BAB814D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000284BAB85CB0, 16 bytes long.
Data: <0g¸º„ > 30 67 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000284BAB81890, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000284BAB85C60, 16 bytes long.
Data: <xf¸º„ > 78 66 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000284BAB85670, 16 bytes long.
Data: <Pf¸º„ > 50 66 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000284BAB858A0, 16 bytes long.
Data: <(f¸º„ > 28 66 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000284BAB85C10, 16 bytes long.
Data: < f¸º„ > 00 66 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000284BAB86390, 16 bytes long.
Data: <Øe¸º„ > D8 65 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000284BAB85AD0, 16 bytes long.
Data: <°e¸º„ > B0 65 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000284BAB86250, 16 bytes long.
Data: < L¸º„ > 10 4C B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000284BAB84C10, 40 bytes long.
Data: <Pb¸º„ @e“¼„ > 50 62 B8 BA 84 02 00 00 40 65 93 BC 84 02 00 00
{257} normal block at 0x00000284BAB862F0, 16 bytes long.
Data: < e¸º„ > 90 65 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000284BAB85BC0, 16 bytes long.
Data: <he¸º„ > 68 65 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000284BAB80E70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000284BAB85B70, 16 bytes long.
Data: <@e¸º„ > 40 65 B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000284BAB86540, 992 bytes long.
Data: <p[¸º„ p ¸º„ > 70 5B B8 BA 84 02 00 00 70 0E B8 BA 84 02 00 00
{89} normal block at 0x00000284BAB81830, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000284BAB7DDC0, 16 bytes long.
Data: < O¸º„ > 90 4F B8 BA 84 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000284BAB84F90, 40 bytes long.
Data: <ÀÝ·º„ 0 ¸º„ > C0 DD B7 BA 84 02 00 00 30 18 B8 BA 84 02 00 00
{66} normal block at 0x00000284BAB7DAA0, 16 bytes long.
Data: < êÆÏö > 80 EA C6 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000284BAB7DE60, 16 bytes long.
Data: <@éÆÏö > 40 E9 C6 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000284BAB7D6E0, 16 bytes long.
Data: <øWÃÏö > F8 57 C3 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000284BAB7D690, 16 bytes long.
Data: <ØWÃÏö > D8 57 C3 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000284BAB7D550, 16 bytes long.
Data: <P ÃÏö > 50 04 C3 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000284BAB7DCD0, 16 bytes long.
Data: <0 ÃÏö > 30 04 C3 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000284BAB7DA50, 16 bytes long.
Data: <à ÃÏö > E0 02 C3 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000284BAB7D5F0, 16 bytes long.
Data: < ÃÏö > 10 04 C3 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000284BAB7DB40, 16 bytes long.
Data: <p ÃÏö > 70 04 C3 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000284BAB7DE10, 16 bytes long.
Data: < ÀÁÏö > 18 C0 C1 CF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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