Task 38581293
| Name | HIF2A_A01_A39_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND4458_0 |
| Workunit | 31545819 |
| Created | 12 Dec 2025, 10:43:38 UTC |
| Sent | 12 Dec 2025, 10:43:59 UTC |
| Report deadline | 17 Dec 2025, 10:43:59 UTC |
| Received | 12 Dec 2025, 12:51:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638103 |
| Run time | 2 hours 6 min 20 sec |
| CPU time | 2 hours 6 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 22,246.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 484.59 MB |
| Peak swap size | 6.61 GB |
| Peak disk usage | 2.93 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:44:51 (19932): wrapper (7.9.26016): starting
11:44:51 (19932): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A39_0.pdb
QB_A01_A39_0.xml
QB_A01_A39_equil.pdb
QB_A01_A39.inpcrd
QB_A01_A39_input.yaml
QB_A01_A39_mdlambda.pdb
QB_A01_A39_min.pdb
QB_A01_A39_npt.pdb
QB_A01_A39.pdb
QB_A01_A39.prmtop
QB_A01_A39_sys.xml
QB_A01_A39_therm.pdb
run.bat
run.sh
11:44:52 (19932): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:44:52 (19932): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
13:50:23 (19932): C:/Windows/system32/cmd.exe exited; CPU time 7580.843750
13:50:23 (19932): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 112422023 bytes.
Dumping objects ->
{3835236} normal block at 0x000001BCD56DD270, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x000001BCD56DCD30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x000001BCD56DCDA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835203} normal block at 0x000001BCD56DCC50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x000001BCD3B94A50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835161} normal block at 0x000001BCD5728DD0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x000001BCD573EC90, 102 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) : {3835147} normal block at 0x000001BCD3B8D760, 8 bytes long.
Data: < éÓ¼ > 00 00 E9 D3 BC 01 00 00
{3834543} normal block at 0x000001BCD573F4D0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001BCD3B8DE90, 8 bytes long.
Data: <p×·Ó¼ > 70 D7 B7 D3 BC 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001BCD3B812E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BCD3B81FB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001BCD3B96060, 16 bytes long.
Data: <xk¹Ó¼ > 78 6B B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BCD3B95F20, 16 bytes long.
Data: <Pk¹Ó¼ > 50 6B B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BCD3B8F860, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001BCD3B96790, 16 bytes long.
Data: <(k¹Ó¼ > 28 6B B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BCD3B95E80, 16 bytes long.
Data: < k¹Ó¼ > 00 6B B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BCD3B95E30, 16 bytes long.
Data: <Øj¹Ó¼ > D8 6A B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BCD3B967E0, 16 bytes long.
Data: <°j¹Ó¼ > B0 6A B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BCD3B94AC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001BCD3B95CA0, 16 bytes long.
Data: <Èò·Ó¼ > C8 F2 B7 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BCD3B8F800, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001BCD3B966A0, 16 bytes long.
Data: < ò·Ó¼ > A0 F2 B7 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BCD3B965B0, 16 bytes long.
Data: <xò·Ó¼ > 78 F2 B7 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BCD3B958E0, 16 bytes long.
Data: <Pò·Ó¼ > 50 F2 B7 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BCD3B95DE0, 16 bytes long.
Data: <(ò·Ó¼ > 28 F2 B7 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BCD3B95CF0, 16 bytes long.
Data: < ò·Ó¼ > 00 F2 B7 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BCD3B961F0, 16 bytes long.
Data: <Øñ·Ó¼ > D8 F1 B7 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BCD3B8F560, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001BCD3B95980, 16 bytes long.
Data: <°ñ·Ó¼ > B0 F1 B7 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BCD3B7F1B0, 320 bytes long.
Data: < Y¹Ó¼ `õ¸Ó¼ > 80 59 B9 D3 BC 01 00 00 60 F5 B8 D3 BC 01 00 00
{275} normal block at 0x000001BCD3B95930, 16 bytes long.
Data: < j¹Ó¼ > 90 6A B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BCD3B95C00, 16 bytes long.
Data: <hj¹Ó¼ > 68 6A B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BCD3B8FF20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001BCD3B96740, 16 bytes long.
Data: <@j¹Ó¼ > 40 6A B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BCD3B8FEC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001BCD3B96650, 16 bytes long.
Data: < i¹Ó¼ > 88 69 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BCD3B966F0, 16 bytes long.
Data: <`i¹Ó¼ > 60 69 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BCD3B95BB0, 16 bytes long.
Data: <8i¹Ó¼ > 38 69 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BCD3B95A20, 16 bytes long.
Data: < i¹Ó¼ > 10 69 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BCD3B95D90, 16 bytes long.
Data: <èh¹Ó¼ > E8 68 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BCD3B95B60, 16 bytes long.
Data: <Àh¹Ó¼ > C0 68 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BCD3B964C0, 16 bytes long.
Data: <àP¹Ó¼ > E0 50 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BCD3B950E0, 40 bytes long.
Data: <Àd¹Ó¼ Ð rÕ¼ > C0 64 B9 D3 BC 01 00 00 D0 8D 72 D5 BC 01 00 00
{261} normal block at 0x000001BCD3B95AC0, 16 bytes long.
Data: < h¹Ó¼ > A0 68 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BCD3B95B10, 16 bytes long.
Data: <xh¹Ó¼ > 78 68 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BCD3B90220, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001BCD3B95890, 16 bytes long.
Data: <Ph¹Ó¼ > 50 68 B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BCD3B96850, 992 bytes long.
Data: < X¹Ó¼ ¹Ó¼ > 90 58 B9 D3 BC 01 00 00 20 02 B9 D3 BC 01 00 00
{93} normal block at 0x000001BCD3B8F500, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001BCD3B8DF30, 16 bytes long.
Data: <ÐM¹Ó¼ > D0 4D B9 D3 BC 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001BCD3B94DD0, 40 bytes long.
Data: <0߸Ӽ õ¸Ó¼ > 30 DF B8 D3 BC 01 00 00 00 F5 B8 D3 BC 01 00 00
{70} normal block at 0x000001BCD3B8DDF0, 16 bytes long.
Data: < ê] ö > 80 EA 5D 13 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BCD3B8D580, 16 bytes long.
Data: <@é] ö > 40 E9 5D 13 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BCD3B8D440, 16 bytes long.
Data: <øWZ ö > F8 57 5A 13 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BCD3B8D670, 16 bytes long.
Data: <ØWZ ö > D8 57 5A 13 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BCD3B8D8F0, 16 bytes long.
Data: <P Z ö > 50 04 5A 13 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BCD3B8DDA0, 16 bytes long.
Data: <0 Z ö > 30 04 5A 13 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BCD3B8D710, 16 bytes long.
Data: <à Z ö > E0 02 5A 13 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BCD3B8DAD0, 16 bytes long.
Data: < Z ö > 10 04 5A 13 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BCD3B8DE40, 16 bytes long.
Data: <p Z ö > 70 04 5A 13 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BCD3B8DA80, 16 bytes long.
Data: < ÀX ö > 18 C0 58 13 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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