Task 38582004
| Name | HIF2A_A33_A02_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND0672_0 |
| Workunit | 31546379 |
| Created | 12 Dec 2025, 18:58:41 UTC |
| Sent | 12 Dec 2025, 18:58:43 UTC |
| Report deadline | 17 Dec 2025, 18:58:43 UTC |
| Received | 13 Dec 2025, 7:39:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625876 |
| Run time | 4 hours 21 min 38 sec |
| CPU time | 4 hours 21 min 38 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 6,807.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 438.10 MB |
| Peak swap size | 6.43 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
04:21:14 (34712): wrapper (7.9.26016): starting
04:21:14 (34712): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A33_A02_0.pdb
QB_A33_A02_0.xml
QB_A33_A02_equil.pdb
QB_A33_A02.inpcrd
QB_A33_A02_input.yaml
QB_A33_A02_mdlambda.pdb
QB_A33_A02_min.pdb
QB_A33_A02_npt.pdb
QB_A33_A02.pdb
QB_A33_A02.prmtop
QB_A33_A02_sys.xml
QB_A33_A02_therm.pdb
run.bat
run.sh
04:21:15 (34712): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:21:15 (34712): 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
08:38:48 (34712): C:/Windows/system32/cmd.exe exited; CPU time 15698.296875
08:38:48 (34712): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 299103045 bytes.
Dumping objects ->
{3835524} normal block at 0x000001B0D27DA330, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835513} normal block at 0x000001B0D27DA870, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835502} normal block at 0x000001B0D27DAF00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835491} normal block at 0x000001B0D27DA250, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x000001B0D27DAB10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835449} normal block at 0x000001B0D43BC000, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835438} normal block at 0x000001B0D27AB9E0, 200 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) : {3835435} normal block at 0x000001B0D27AEC10, 8 bytes long.
Data: < ­Ò° > 00 00 AD D2 B0 01 00 00
{3834712} normal block at 0x000001B0D27AD580, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833975} normal block at 0x000001B0D27AF200, 8 bytes long.
Data: <PãyÒ° > 50 E3 79 D2 B0 01 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001B0D27A1FE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001B0D27A33F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x000001B0D27B79B0, 16 bytes long.
Data: < {Ò° > 18 80 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001B0D27B7050, 16 bytes long.
Data: <ð {Ò° > F0 7F 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001B0D27B0FA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x000001B0D27B7320, 16 bytes long.
Data: <È {Ò° > C8 7F 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B0D27B7460, 16 bytes long.
Data: <  {Ò° > A0 7F 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B0D27B7280, 16 bytes long.
Data: <x {Ò° > 78 7F 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B0D27B7B90, 16 bytes long.
Data: <P {Ò° > 50 7F 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B0D27B31A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x000001B0D27B7870, 16 bytes long.
Data: <¸þyÒ° > B8 FE 79 D2 B0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B0D27B12A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x000001B0D27B7960, 16 bytes long.
Data: < þyÒ° > 90 FE 79 D2 B0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B0D27B75F0, 16 bytes long.
Data: <hþyÒ° > 68 FE 79 D2 B0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B0D27B7820, 16 bytes long.
Data: <@þyÒ° > 40 FE 79 D2 B0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B0D27B7000, 16 bytes long.
Data: < þyÒ° > 18 FE 79 D2 B0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B0D27B72D0, 16 bytes long.
Data: <ðýyÒ° > F0 FD 79 D2 B0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B0D27B7C80, 16 bytes long.
Data: <ÈýyÒ° > C8 FD 79 D2 B0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B0D27B0E80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x000001B0D27B73C0, 16 bytes long.
Data: < ýyÒ° > A0 FD 79 D2 B0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B0D279FDA0, 320 bytes long.
Data: <Às{Ò° {Ò° > C0 73 7B D2 B0 01 00 00 80 0E 7B D2 B0 01 00 00
{283} normal block at 0x000001B0D27B7230, 16 bytes long.
Data: <0 {Ò° > 30 7F 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B0D27B7B40, 16 bytes long.
Data: < {Ò° > 08 7F 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B0D27B0940, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x000001B0D27B70F0, 16 bytes long.
Data: <à~{Ò° > E0 7E 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B0D27B0700, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x000001B0D27B71E0, 16 bytes long.
Data: <(~{Ò° > 28 7E 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B0D27B7410, 16 bytes long.
Data: < ~{Ò° > 00 7E 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B0D27B7190, 16 bytes long.
Data: <Ø}{Ò° > D8 7D 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B0D27B77D0, 16 bytes long.
Data: <°}{Ò° > B0 7D 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B0D27B7780, 16 bytes long.
Data: < }{Ò° > 88 7D 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B0D27B7730, 16 bytes long.
Data: <`}{Ò° > 60 7D 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B0D27B7690, 16 bytes long.
Data: < 6{Ò° > 00 36 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B0D27B3600, 40 bytes long.
Data: < v{Ò° À;Ô° > 90 76 7B D2 B0 01 00 00 00 C0 3B D4 B0 01 00 00
{269} normal block at 0x000001B0D27B7AF0, 16 bytes long.
Data: <@}{Ò° > 40 7D 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B0D27B7910, 16 bytes long.
Data: < }{Ò° > 18 7D 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B0D27B0640, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x000001B0D27B76E0, 16 bytes long.
Data: <ð|{Ò° > F0 7C 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B0D27B7CF0, 992 bytes long.
Data: <àv{Ò° @ {Ò° > E0 76 7B D2 B0 01 00 00 40 06 7B D2 B0 01 00 00
{101} normal block at 0x000001B0D27B09A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000001B0D27AE490, 16 bytes long.
Data: < 2{Ò° > 80 32 7B D2 B0 01 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000001B0D27B3280, 40 bytes long.
Data: < äzÒ°   {Ò° > 90 E4 7A D2 B0 01 00 00 A0 09 7B D2 B0 01 00 00
{78} normal block at 0x000001B0D27AEDA0, 16 bytes long.
Data: < ê-$ö > 80 EA 2D 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001B0D27AEC60, 16 bytes long.
Data: <@é-$ö > 40 E9 2D 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001B0D27AEE90, 16 bytes long.
Data: <øW*$ö > F8 57 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001B0D27AE850, 16 bytes long.
Data: <ØW*$ö > D8 57 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001B0D27AE800, 16 bytes long.
Data: <P *$ö > 50 04 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B0D27AED00, 16 bytes long.
Data: <0 *$ö > 30 04 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B0D27AEF80, 16 bytes long.
Data: <à *$ö > E0 02 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B0D27AF110, 16 bytes long.
Data: < *$ö > 10 04 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B0D27AE3A0, 16 bytes long.
Data: <p *$ö > 70 04 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B0D27AEAD0, 16 bytes long.
Data: < À($ö > 18 C0 28 24 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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