Task 38581310
| Name | HIF2A_A05_A12_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND9395_0 |
| Workunit | 31545836 |
| Created | 12 Dec 2025, 10:44:13 UTC |
| Sent | 12 Dec 2025, 10:44:17 UTC |
| Report deadline | 17 Dec 2025, 10:44:17 UTC |
| Received | 12 Dec 2025, 17:59:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647718 |
| Run time | 7 hours 6 min 24 sec |
| CPU time | 4 hours 12 min 50 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,982.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 455.26 MB |
| Peak swap size | 6.50 GB |
| Peak disk usage | 2.94 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:53:45 (16876): wrapper (7.9.26016): starting
11:53:45 (16876): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A12_0.pdb
QB_A05_A12_0.xml
QB_A05_A12_equil.pdb
QB_A05_A12.inpcrd
QB_A05_A12_input.yaml
QB_A05_A12_mdlambda.pdb
QB_A05_A12_min.pdb
QB_A05_A12_npt.pdb
QB_A05_A12.pdb
QB_A05_A12.prmtop
QB_A05_A12_sys.xml
QB_A05_A12_therm.pdb
run.bat
run.sh
11:53:50 (16876): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:53:50 (16876): 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 'E:\ProgramData\BOINC\slots\15\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 'E:\ProgramData\BOINC\slots\15\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
18:57:51 (16876): C:/Windows/system32/cmd.exe exited; CPU time 15170.093750
18:57:51 (16876): 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: 137602087 bytes.
Dumping objects ->
{3835249} normal block at 0x00000188E5FA71D0, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835238} normal block at 0x00000188E5FA6C90, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835227} normal block at 0x00000188E5FA70F0, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835216} normal block at 0x00000188E5FA7080, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835205} normal block at 0x00000188E5FA6FA0, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835174} normal block at 0x00000188E7BA6430, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835160} normal block at 0x00000188E5F9E390, 8 bytes long.
Data: < ֌ > 00 00 F7 E5 88 01 00 00
{3833969} normal block at 0x00000188E5F9DD50, 8 bytes long.
Data: <0Úøå > 30 DA F8 E5 88 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000188E5F90E30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000188E5F92160, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x00000188E5FA61E0, 16 bytes long.
Data: <hjúå > 68 6A FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000188E5FA60F0, 16 bytes long.
Data: <@júå > 40 6A FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000188E5F9FEC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x00000188E5FA6050, 16 bytes long.
Data: < júå > 18 6A FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000188E5FA5790, 16 bytes long.
Data: <ðiúå > F0 69 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000188E5FA5470, 16 bytes long.
Data: <Èiúå > C8 69 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000188E5FA5B50, 16 bytes long.
Data: < iúå > A0 69 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000188E5FA6D00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000188E5FA5C40, 16 bytes long.
Data: <x ùå > 78 0A F9 E5 88 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000188E5FA0640, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000188E5FA5740, 16 bytes long.
Data: <P ùå > 50 0A F9 E5 88 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000188E5FA56F0, 16 bytes long.
Data: <( ùå > 28 0A F9 E5 88 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000188E5FA6140, 16 bytes long.
Data: < ùå > 00 0A F9 E5 88 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000188E5FA5600, 16 bytes long.
Data: <Ø ùå > D8 09 F9 E5 88 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000188E5FA5880, 16 bytes long.
Data: <° ùå > B0 09 F9 E5 88 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000188E5FA53D0, 16 bytes long.
Data: < ùå > 88 09 F9 E5 88 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000188E5F9FDA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x00000188E5FA6000, 16 bytes long.
Data: <` ùå > 60 09 F9 E5 88 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000188E5F90960, 320 bytes long.
Data: < `úå  ýùå > 00 60 FA E5 88 01 00 00 A0 FD F9 E5 88 01 00 00
{280} normal block at 0x00000188E5FA5BA0, 16 bytes long.
Data: < iúå > 80 69 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000188E5FA6190, 16 bytes long.
Data: <Xiúå > 58 69 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000188E5FA0100, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000188E5FA5F60, 16 bytes long.
Data: <0iúå > 30 69 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000188E5FA06A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x00000188E5FA5F10, 16 bytes long.
Data: <xhúå > 78 68 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000188E5FA55B0, 16 bytes long.
Data: <Phúå > 50 68 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000188E5FA5FB0, 16 bytes long.
Data: <(húå > 28 68 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000188E5FA5BF0, 16 bytes long.
Data: < húå > 00 68 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000188E5FA5EC0, 16 bytes long.
Data: <Øgúå > D8 67 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000188E5FA5AB0, 16 bytes long.
Data: <°gúå > B0 67 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000188E5FA56A0, 16 bytes long.
Data: < Õøå > 90 D5 F8 E5 88 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000188E5F8D590, 40 bytes long.
Data: < Vúå 0dºç > A0 56 FA E5 88 01 00 00 30 64 BA E7 88 01 00 00
{266} normal block at 0x00000188E5FA5D80, 16 bytes long.
Data: < gúå > 90 67 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000188E5FA5E20, 16 bytes long.
Data: <hgúå > 68 67 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000188E5FA03A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x00000188E5FA59C0, 16 bytes long.
Data: <@gúå > 40 67 FA E5 88 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000188E5FA6740, 992 bytes long.
Data: <ÀYúå   úå > C0 59 FA E5 88 01 00 00 A0 03 FA E5 88 01 00 00
{98} normal block at 0x00000188E5FA0040, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x00000188E5F9E020, 16 bytes long.
Data: <`ßøå > 60 DF F8 E5 88 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000188E5F8DF60, 40 bytes long.
Data: < àùå @ úå > 20 E0 F9 E5 88 01 00 00 40 00 FA E5 88 01 00 00
{75} normal block at 0x00000188E5F9DA30, 16 bytes long.
Data: < êâ•÷ > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000188E5F9DF80, 16 bytes long.
Data: <@éâ•÷ > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000188E5F9DFD0, 16 bytes long.
Data: <øWß•÷ > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000188E5F9DCB0, 16 bytes long.
Data: <ØWß•÷ > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000188E5F9D6C0, 16 bytes long.
Data: <P ß•÷ > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000188E5F9D940, 16 bytes long.
Data: <0 ß•÷ > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000188E5F9D5D0, 16 bytes long.
Data: <à ß•÷ > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000188E5F9DE90, 16 bytes long.
Data: < ß•÷ > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000188E5F9E070, 16 bytes long.
Data: <p ß•÷ > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000188E5F9DC60, 16 bytes long.
Data: < ÀÝ•÷ > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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