Task 38582608
| Name | HIF2A_A21_A08_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND3000_0 |
| Workunit | 31546899 |
| Created | 13 Dec 2025, 8:10:19 UTC |
| Sent | 13 Dec 2025, 8:10:29 UTC |
| Report deadline | 18 Dec 2025, 8:10:29 UTC |
| Received | 13 Dec 2025, 16:05:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632103 |
| Run time | 4 hours 14 min 19 sec |
| CPU time | 4 hours 14 min 19 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,120.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 458.61 MB |
| Peak swap size | 9.47 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
12:57:08 (3388): wrapper (7.9.26016): starting
12:57:08 (3388): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A08_0.pdb
QB_A21_A08_0.xml
QB_A21_A08_equil.pdb
QB_A21_A08.inpcrd
QB_A21_A08_input.yaml
QB_A21_A08_mdlambda.pdb
QB_A21_A08_min.pdb
QB_A21_A08_npt.pdb
QB_A21_A08.pdb
QB_A21_A08.prmtop
QB_A21_A08_sys.xml
QB_A21_A08_therm.pdb
run.bat
run.sh
12:57:09 (3388): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:57:09 (3388): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
17:04:17 (3388): C:/Windows/system32/cmd.exe exited; CPU time 15259.203125
17:04:17 (3388): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 171831975 bytes.
Dumping objects ->
{3835364} normal block at 0x00000251F8BE64B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835353} normal block at 0x00000251F8BE5F00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835342} normal block at 0x00000251F8BE5C60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835331} normal block at 0x00000251F8BE5DB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835320} normal block at 0x00000251F8BE63D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835289} normal block at 0x00000251FA7B7A30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835278} normal block at 0x00000251FA81CD70, 180 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) : {3835275} normal block at 0x00000251F8BB6D70, 8 bytes long.
Data: < ¹øQ > 00 00 B9 F8 51 02 00 00
{3834622} normal block at 0x00000251FA81C8C0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833977} normal block at 0x00000251F8BB6D20, 8 bytes long.
Data: <ÀäÉøQ > C0 E4 C9 F8 51 02 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000251F8BC1080, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000251F8BC2100, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x00000251F8BC24D0, 16 bytes long.
Data: <è4¼øQ > E8 34 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000251F8BC2480, 16 bytes long.
Data: <À4¼øQ > C0 34 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000251F8BB7F40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x00000251F8BC2430, 16 bytes long.
Data: < 4¼øQ > 98 34 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000251F8BC23E0, 16 bytes long.
Data: <p4¼øQ > 70 34 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000251F8BC2390, 16 bytes long.
Data: <H4¼øQ > 48 34 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000251F8BC2340, 16 bytes long.
Data: < 4¼øQ > 20 34 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000251F8BBDD10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x00000251F8BC22F0, 16 bytes long.
Data: < ¼øQ > 98 20 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000251F8BB7DC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x00000251F8BC2250, 16 bytes long.
Data: <p ¼øQ > 70 20 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000251F8BC3150, 16 bytes long.
Data: <H ¼øQ > 48 20 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000251F8BC2CA0, 16 bytes long.
Data: < ¼øQ > 20 20 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000251F8BC2C00, 16 bytes long.
Data: <ø ¼øQ > F8 1F BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000251F8BC22A0, 16 bytes long.
Data: <Ð ¼øQ > D0 1F BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000251F8BC3100, 16 bytes long.
Data: <¨ ¼øQ > A8 1F BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000251F8BB7E80, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{286} normal block at 0x00000251F8BC2BB0, 16 bytes long.
Data: < ¼øQ > 80 1F BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000251F8BC1F80, 320 bytes long.
Data: <°+¼øQ ~»øQ > B0 2B BC F8 51 02 00 00 80 7E BB F8 51 02 00 00
{284} normal block at 0x00000251F8BC2980, 16 bytes long.
Data: < 4¼øQ > 00 34 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000251F8BC30B0, 16 bytes long.
Data: <Ø3¼øQ > D8 33 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000251F8BB77C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x00000251F8BC27F0, 16 bytes long.
Data: <°3¼øQ > B0 33 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000251F8BB7B80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x00000251F8BC2D90, 16 bytes long.
Data: <ø2¼øQ > F8 32 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000251F8BC2930, 16 bytes long.
Data: <Ð2¼øQ > D0 32 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000251F8BC3060, 16 bytes long.
Data: <¨2¼øQ > A8 32 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000251F8BC2C50, 16 bytes long.
Data: < 2¼øQ > 80 32 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000251F8BC3010, 16 bytes long.
Data: <X2¼øQ > 58 32 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000251F8BC29D0, 16 bytes long.
Data: <02¼øQ > 30 32 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000251F8BC2200, 16 bytes long.
Data: <°Ø»øQ > B0 D8 BB F8 51 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000251F8BBD8B0, 40 bytes long.
Data: < "¼øQ 0z{úQ > 00 22 BC F8 51 02 00 00 30 7A 7B FA 51 02 00 00
{270} normal block at 0x00000251F8BC2840, 16 bytes long.
Data: < 2¼øQ > 10 32 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000251F8BC2520, 16 bytes long.
Data: <è1¼øQ > E8 31 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000251F8BB7B20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x00000251F8BC2F70, 16 bytes long.
Data: <À1¼øQ > C0 31 BC F8 51 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000251F8BC31C0, 992 bytes long.
Data: <p/¼øQ {»øQ > 70 2F BC F8 51 02 00 00 20 7B BB F8 51 02 00 00
{102} normal block at 0x00000251F8BB7760, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x00000251F8BB6230, 16 bytes long.
Data: <ðÝ»øQ > F0 DD BB F8 51 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x00000251F8BBDDF0, 40 bytes long.
Data: <0b»øQ `w»øQ > 30 62 BB F8 51 02 00 00 60 77 BB F8 51 02 00 00
{79} normal block at 0x00000251F8BB6E10, 16 bytes long.
Data: < ê ¥ö > 80 EA 1F A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000251F8BB6820, 16 bytes long.
Data: <@é ¥ö > 40 E9 1F A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000251F8BB6F00, 16 bytes long.
Data: <øW ¥ö > F8 57 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000251F8BB6640, 16 bytes long.
Data: <ØW ¥ö > D8 57 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000251F8BB70E0, 16 bytes long.
Data: <P ¥ö > 50 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000251F8BB6910, 16 bytes long.
Data: <0 ¥ö > 30 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000251F8BB7180, 16 bytes long.
Data: <à ¥ö > E0 02 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000251F8BB7040, 16 bytes long.
Data: < ¥ö > 10 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000251F8BB6E60, 16 bytes long.
Data: <p ¥ö > 70 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000251F8BB64B0, 16 bytes long.
Data: < À ¥ö > 18 C0 1A A5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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