Task 38618817
| Name | HIF2A_2_A32_A13_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a_2-2-6-RND8932_0 |
| Workunit | 31570256 |
| Created | 18 Apr 2026, 16:02:36 UTC |
| Sent | 18 Apr 2026, 16:02:47 UTC |
| Report deadline | 23 Apr 2026, 16:02:47 UTC |
| Received | 18 Apr 2026, 23:26:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648094 |
| Run time | 4 hours 10 min 42 sec |
| CPU time | 3 hours 38 min 27 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,155.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 446.92 MB |
| Peak swap size | 12.56 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:07:19 (15316): wrapper (7.9.26016): starting
14:07:19 (15316): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A13_0.pdb
QB_A32_A13_0.xml
QB_A32_A13.inpcrd
QB_A32_A13_input.yaml
QB_A32_A13.pdb
QB_A32_A13.prmtop
QB_A32_A13_sys.xml
run.bat
run.sh
14:07:20 (15316): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:07:20 (15316): 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\1\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\1\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
18:17:22 (15316): C:/Windows/system32/cmd.exe exited; CPU time 13107.062500
18:17:22 (15316): 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: 176400697 bytes.
Dumping objects ->
{3835567} normal block at 0x000002672BF82F80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835556} normal block at 0x000002672BF82F10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835545} normal block at 0x000002672BF83370, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835534} normal block at 0x000002672BF82EA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835523} normal block at 0x000002672BF82FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835492} normal block at 0x000002672DD34000, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835481} normal block at 0x000002672BF83730, 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) : {3835478} normal block at 0x000002672BF7D9A0, 8 bytes long.
Data: < ð+g > 00 00 F0 2B 67 02 00 00
{3834701} normal block at 0x000002672BF83860, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x000002672BF7DA40, 8 bytes long.
Data: < Õö+g > 20 D5 F6 2B 67 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002672BF70E20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002672BF723A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000002672BF83CB0, 16 bytes long.
Data: <ÈPø+g > C8 50 F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002672BF847A0, 16 bytes long.
Data: < Pø+g > A0 50 F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002672BF80590, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000002672BF842F0, 16 bytes long.
Data: <xPø+g > 78 50 F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002672BF83AD0, 16 bytes long.
Data: <PPø+g > 50 50 F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002672BF840C0, 16 bytes long.
Data: <(Pø+g > 28 50 F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002672BF84610, 16 bytes long.
Data: < Pø+g > 00 50 F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002672BF757C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000002672BF84750, 16 bytes long.
Data: <Hüö+g > 48 FC F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002672BF80530, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000002672BF84700, 16 bytes long.
Data: < üö+g > 20 FC F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002672BF84660, 16 bytes long.
Data: <øûö+g > F8 FB F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002672BF84930, 16 bytes long.
Data: <Ðûö+g > D0 FB F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002672BF84520, 16 bytes long.
Data: <¨ûö+g > A8 FB F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002672BF83D50, 16 bytes long.
Data: < ûö+g > 80 FB F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002672BF84890, 16 bytes long.
Data: <Xûö+g > 58 FB F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002672BF804D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000002672BF845C0, 16 bytes long.
Data: <0ûö+g > 30 FB F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002672BF6FB30, 320 bytes long.
Data: <ÀEø+g Ð ø+g > C0 45 F8 2B 67 02 00 00 D0 04 F8 2B 67 02 00 00
{272} normal block at 0x000002672BF843E0, 16 bytes long.
Data: <àOø+g > E0 4F F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002672BF83DA0, 16 bytes long.
Data: <¸Oø+g > B8 4F F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002672BF808F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000002672BF83BC0, 16 bytes long.
Data: < Oø+g > 90 4F F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002672BF813D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000002672BF83F30, 16 bytes long.
Data: <ØNø+g > D8 4E F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002672BF844D0, 16 bytes long.
Data: <°Nø+g > B0 4E F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002672BF84200, 16 bytes long.
Data: < Nø+g > 88 4E F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002672BF84020, 16 bytes long.
Data: <`Nø+g > 60 4E F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002672BF83C60, 16 bytes long.
Data: <8Nø+g > 38 4E F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002672BF841B0, 16 bytes long.
Data: < Nø+g > 10 4E F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002672BF83B20, 16 bytes long.
Data: < Äö+g > 20 C4 F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002672BF6C420, 40 bytes long.
Data: < ;ø+g @Ó-g > 20 3B F8 2B 67 02 00 00 00 40 D3 2D 67 02 00 00
{258} normal block at 0x000002672BF83F80, 16 bytes long.
Data: <ðMø+g > F0 4D F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002672BF839E0, 16 bytes long.
Data: <ÈMø+g > C8 4D F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002672BF81130, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000002672BF83EE0, 16 bytes long.
Data: < Mø+g > A0 4D F8 2B 67 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002672BF84DA0, 992 bytes long.
Data: <à>ø+g 0 ø+g > E0 3E F8 2B 67 02 00 00 30 11 F8 2B 67 02 00 00
{90} normal block at 0x000002672BF80830, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000002672BF7DB80, 16 bytes long.
Data: < ®ö+g > A0 AE F6 2B 67 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002672BF6AEA0, 40 bytes long.
Data: < Û÷+g 0 ø+g > 80 DB F7 2B 67 02 00 00 30 08 F8 2B 67 02 00 00
{67} normal block at 0x000002672BF7D130, 16 bytes long.
Data: < ê\ ö > 80 EA 5C 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002672BF7D950, 16 bytes long.
Data: <@é\ ö > 40 E9 5C 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002672BF7DCC0, 16 bytes long.
Data: <øWY ö > F8 57 59 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002672BF7D900, 16 bytes long.
Data: <ØWY ö > D8 57 59 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002672BF7D540, 16 bytes long.
Data: <P Y ö > 50 04 59 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002672BF7D8B0, 16 bytes long.
Data: <0 Y ö > 30 04 59 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002672BF7D450, 16 bytes long.
Data: <à Y ö > E0 02 59 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002672BF7DC70, 16 bytes long.
Data: < Y ö > 10 04 59 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002672BF7D270, 16 bytes long.
Data: <p Y ö > 70 04 59 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002672BF7D4F0, 16 bytes long.
Data: < ÀW ö > 18 C0 57 04 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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