Task 38619661
| Name | HIF2A_2_A39_A30_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a_2-2-6-RND5413_1 |
| Workunit | 31570335 |
| Created | 19 Apr 2026, 0:21:55 UTC |
| Sent | 19 Apr 2026, 0:22:02 UTC |
| Report deadline | 24 Apr 2026, 0:22:02 UTC |
| Received | 19 Apr 2026, 2:53:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648183 |
| Run time | 2 hours 26 min 44 sec |
| CPU time | 2 hours 26 min 44 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 22,863.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 457.82 MB |
| Peak swap size | 6.54 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:29:06 (24788): wrapper (7.9.26016): starting
20:29:06 (24788): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A30_0.pdb
QB_A39_A30_0.xml
QB_A39_A30.inpcrd
QB_A39_A30_input.yaml
QB_A39_A30.pdb
QB_A39_A30.prmtop
QB_A39_A30_sys.xml
run.bat
run.sh
20:29:07 (24788): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:29:07 (24788): 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
22:53:06 (24788): C:/Windows/system32/cmd.exe exited; CPU time 8804.609375
22:53:06 (24788): 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: 140471481 bytes.
Dumping objects ->
{3835190} normal block at 0x000002B9E9B59180, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835179} normal block at 0x000002B9E9B58F50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835168} normal block at 0x000002B9E9B59030, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835157} normal block at 0x000002B9E9B590A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835146} normal block at 0x000002B9E9B59810, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835115} normal block at 0x000002B9EB839290, 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) : {3835102} normal block at 0x000002B9E9B2D450, 8 bytes long.
Data: < ê¹ > 00 00 01 EA B9 02 00 00
{3833963} normal block at 0x000002B9E9B2D810, 8 bytes long.
Data: < Ø±é¹ > 20 D8 B1 E9 B9 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002B9E9B20CF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002B9E9B21DC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002B9E9B36110, 16 bytes long.
Data: <èj³é¹ > E8 6A B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002B9E9B360C0, 16 bytes long.
Data: <Àj³é¹ > C0 6A B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002B9E9B2F5F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002B9E9B36570, 16 bytes long.
Data: < j³é¹ > 98 6A B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B9E9B36070, 16 bytes long.
Data: <pj³é¹ > 70 6A B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B9E9B35F80, 16 bytes long.
Data: <Hj³é¹ > 48 6A B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B9E9B36480, 16 bytes long.
Data: < j³é¹ > 20 6A B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B9E9B31270, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002B9E9B35C60, 16 bytes long.
Data: <Øî±é¹ > D8 EE B1 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B9E9B2FCB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002B9E9B35F30, 16 bytes long.
Data: <°î±é¹ > B0 EE B1 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B9E9B35FD0, 16 bytes long.
Data: < î±é¹ > 88 EE B1 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B9E9B35EE0, 16 bytes long.
Data: <`î±é¹ > 60 EE B1 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B9E9B35BC0, 16 bytes long.
Data: <8î±é¹ > 38 EE B1 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B9E9B36700, 16 bytes long.
Data: < î±é¹ > 10 EE B1 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B9E9B366B0, 16 bytes long.
Data: <èí±é¹ > E8 ED B1 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B9E9B2F890, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002B9E9B35E90, 16 bytes long.
Data: <Àí±é¹ > C0 ED B1 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B9E9B1EDC0, 320 bytes long.
Data: < ^³é¹ ø²é¹ > 90 5E B3 E9 B9 02 00 00 90 F8 B2 E9 B9 02 00 00
{277} normal block at 0x000002B9E9B35990, 16 bytes long.
Data: < j³é¹ > 00 6A B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B9E9B358F0, 16 bytes long.
Data: <Øi³é¹ > D8 69 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B9E9B30370, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002B9E9B36520, 16 bytes long.
Data: <°i³é¹ > B0 69 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B9E9B302B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002B9E9B36390, 16 bytes long.
Data: <øh³é¹ > F8 68 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B9E9B35800, 16 bytes long.
Data: <Ðh³é¹ > D0 68 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B9E9B36020, 16 bytes long.
Data: <¨h³é¹ > A8 68 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B9E9B364D0, 16 bytes long.
Data: < h³é¹ > 80 68 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B9E9B35850, 16 bytes long.
Data: <Xh³é¹ > 58 68 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B9E9B359E0, 16 bytes long.
Data: <0h³é¹ > 30 68 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B9E9B35B20, 16 bytes long.
Data: <À ³é¹ > C0 13 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B9E9B313C0, 40 bytes long.
Data: < [³é¹ ’ƒë¹ > 20 5B B3 E9 B9 02 00 00 90 92 83 EB B9 02 00 00
{263} normal block at 0x000002B9E9B36250, 16 bytes long.
Data: < h³é¹ > 10 68 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B9E9B358A0, 16 bytes long.
Data: <èg³é¹ > E8 67 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B9E9B2FDD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002B9E9B35940, 16 bytes long.
Data: <Àg³é¹ > C0 67 B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002B9E9B367C0, 992 bytes long.
Data: <@Y³é¹ Ðý²é¹ > 40 59 B3 E9 B9 02 00 00 D0 FD B2 E9 B9 02 00 00
{95} normal block at 0x000002B9E9B301F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002B9E9B2D9A0, 16 bytes long.
Data: <Ð ³é¹ > D0 0F B3 E9 B9 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002B9E9B30FD0, 40 bytes long.
Data: < Ù²é¹ ð ³é¹ > A0 D9 B2 E9 B9 02 00 00 F0 01 B3 E9 B9 02 00 00
{72} normal block at 0x000002B9E9B2DC20, 16 bytes long.
Data: < ê „÷ > 80 EA 1F 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002B9E9B2D1D0, 16 bytes long.
Data: <@é „÷ > 40 E9 1F 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002B9E9B2DE00, 16 bytes long.
Data: <øW „÷ > F8 57 1C 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002B9E9B2DF40, 16 bytes long.
Data: <ØW „÷ > D8 57 1C 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B9E9B2D310, 16 bytes long.
Data: <P „÷ > 50 04 1C 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B9E9B2D270, 16 bytes long.
Data: <0 „÷ > 30 04 1C 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B9E9B2DCC0, 16 bytes long.
Data: <à „÷ > E0 02 1C 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B9E9B2D900, 16 bytes long.
Data: < „÷ > 10 04 1C 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B9E9B2D220, 16 bytes long.
Data: <p „÷ > 70 04 1C 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B9E9B2D770, 16 bytes long.
Data: < À „÷ > 18 C0 1A 84 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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