Task 38616459
| Name | HIF2A_2_A04_A15_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a_2-2-6-RND4218_0 |
| Workunit | 31568339 |
| Created | 17 Apr 2026, 20:42:20 UTC |
| Sent | 17 Apr 2026, 20:42:27 UTC |
| Report deadline | 22 Apr 2026, 20:42:27 UTC |
| Received | 17 Apr 2026, 23:47:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649660 |
| Run time | 2 hours 54 min 27 sec |
| CPU time | 2 hours 54 min 27 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,671.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 463.82 MB |
| Peak swap size | 7.91 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:59:22 (11204): wrapper (7.9.26016): starting
13:59:22 (11204): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A15_0.pdb
QB_A04_A15_0.xml
QB_A04_A15.inpcrd
QB_A04_A15_input.yaml
QB_A04_A15.pdb
QB_A04_A15.prmtop
QB_A04_A15_sys.xml
run.bat
run.sh
13:59:23 (11204): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:59:23 (11204): 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
16:46:49 (11204): C:/Windows/system32/cmd.exe exited; CPU time 10467.687500
16:46:49 (11204): 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: 130475175 bytes.
Dumping objects ->
{3835261} normal block at 0x000001A3E26C4DA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x000001A3E26C5040, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x000001A3E26C5B30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835228} normal block at 0x000001A3E26C54A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x000001A3E26C53C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835186} normal block at 0x000001A3E4294550, 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) : {3835173} normal block at 0x000001A3E2695B70, 8 bytes long.
Data: < f⣠> 00 00 66 E2 A3 01 00 00
{3833945} normal block at 0x000001A3E2695670, 8 bytes long.
Data: < ¥h⣠> 80 A5 68 E2 A3 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001A3E269F660, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A3E2685BB0, 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 0x000001A3E26A0EC0, 16 bytes long.
Data: <h+j⣠> 68 2B 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A3E26A05B0, 16 bytes long.
Data: <@+j⣠> 40 2B 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A3E269BA10, 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 0x000001A3E26A0560, 16 bytes long.
Data: < +j⣠> 18 2B 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A3E26A0510, 16 bytes long.
Data: <ð*j⣠> F0 2A 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A3E26A09C0, 16 bytes long.
Data: <È*j⣠> C8 2A 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A3E26A04C0, 16 bytes long.
Data: < *j⣠> A0 2A 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A3E2699F00, 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 0x000001A3E26A0790, 16 bytes long.
Data: <H[h⣠> 48 5B 68 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A3E269B4D0, 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 0x000001A3E26A0AB0, 16 bytes long.
Data: < [h⣠> 20 5B 68 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A3E26A1280, 16 bytes long.
Data: <øZh⣠> F8 5A 68 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A3E26A08D0, 16 bytes long.
Data: <ÐZh⣠> D0 5A 68 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A3E26A1230, 16 bytes long.
Data: <¨Zh⣠> A8 5A 68 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A3E26A1320, 16 bytes long.
Data: < Zh⣠> 80 5A 68 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A3E26A0740, 16 bytes long.
Data: <XZh⣠> 58 5A 68 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A3E269BEF0, 32 bytes long.
Data: <CUDA_DEVICE=3 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 00 50 55
{270} normal block at 0x000001A3E26A11E0, 16 bytes long.
Data: <0Zh⣠> 30 5A 68 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A3E2685A30, 320 bytes long.
Data: <à j⣠ð¾i⣠> E0 11 6A E2 A3 01 00 00 F0 BE 69 E2 A3 01 00 00
{268} normal block at 0x000001A3E26A10F0, 16 bytes long.
Data: < *j⣠> 80 2A 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A3E26A1140, 16 bytes long.
Data: <X*j⣠> 58 2A 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A3E269B9B0, 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 0x000001A3E26A0470, 16 bytes long.
Data: <0*j⣠> 30 2A 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A3E269BE90, 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 0x000001A3E26A13C0, 16 bytes long.
Data: <x)j⣠> 78 29 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A3E26A06A0, 16 bytes long.
Data: <P)j⣠> 50 29 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A3E26A0E70, 16 bytes long.
Data: <()j⣠> 28 29 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A3E26A12D0, 16 bytes long.
Data: < )j⣠> 00 29 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A3E26A0D30, 16 bytes long.
Data: <Ø(j⣠> D8 28 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001A3E26A0C40, 16 bytes long.
Data: <°(j⣠> B0 28 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001A3E26A0A60, 16 bytes long.
Data: <`£i⣠> 60 A3 69 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001A3E269A360, 40 bytes long.
Data: <` j⣠PE)ä£ > 60 0A 6A E2 A3 01 00 00 50 45 29 E4 A3 01 00 00
{254} normal block at 0x000001A3E26A10A0, 16 bytes long.
Data: < (j⣠> 90 28 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001A3E26A0BF0, 16 bytes long.
Data: <h(j⣠> 68 28 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001A3E269B470, 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 0x000001A3E26A1050, 16 bytes long.
Data: <@(j⣠> 40 28 6A E2 A3 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001A3E26A2840, 992 bytes long.
Data: <P j⣠p´i⣠> 50 10 6A E2 A3 01 00 00 70 B4 69 E2 A3 01 00 00
{86} normal block at 0x000001A3E269B5F0, 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 0x000001A3E2695CB0, 16 bytes long.
Data: < ¥i⣠> 20 A5 69 E2 A3 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001A3E269A520, 40 bytes long.
Data: <°\i⣠ðµi⣠> B0 5C 69 E2 A3 01 00 00 F0 B5 69 E2 A3 01 00 00
{63} normal block at 0x000001A3E26958F0, 16 bytes long.
Data: < êÆ–÷ > 80 EA C6 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A3E2695260, 16 bytes long.
Data: <@éÆ–÷ > 40 E9 C6 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A3E2695E40, 16 bytes long.
Data: <øWÖ÷ > F8 57 C3 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A3E2695DA0, 16 bytes long.
Data: <ØWÖ÷ > D8 57 C3 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001A3E2695FD0, 16 bytes long.
Data: <P Ö÷ > 50 04 C3 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001A3E2695BC0, 16 bytes long.
Data: <0 Ö÷ > 30 04 C3 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001A3E2695440, 16 bytes long.
Data: <à Ö÷ > E0 02 C3 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001A3E26953F0, 16 bytes long.
Data: < Ö÷ > 10 04 C3 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001A3E2695B20, 16 bytes long.
Data: <p Ö÷ > 70 04 C3 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001A3E2695F30, 16 bytes long.
Data: < ÀÁ–÷ > 18 C0 C1 96 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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