Task 38610146
| Name | hif2a_A36_A24_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a-3-6-RND2675_1 |
| Workunit | 31562670 |
| Created | 15 Apr 2026, 6:54:49 UTC |
| Sent | 15 Apr 2026, 6:54:57 UTC |
| Report deadline | 20 Apr 2026, 6:54:57 UTC |
| Received | 15 Apr 2026, 9:52:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642776 |
| Run time | 2 hours 57 min 13 sec |
| CPU time | 2 hours 57 min 13 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 31,078.53 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 465.75 MB |
| Peak swap size | 12.61 GB |
| Peak disk usage | 2.89 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:57:45 (32908): wrapper (7.9.26016): starting
08:57:45 (32908): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A36_A24_0.pdb
QB_A36_A24_0.xml
QB_A36_A24.inpcrd
QB_A36_A24_input.yaml
QB_A36_A24.pdb
QB_A36_A24.prmtop
QB_A36_A24_sys.xml
run.bat
run.sh
08:57:46 (32908): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:57:46 (32908): 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\7\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\7\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
11:51:50 (32908): C:/Windows/system32/cmd.exe exited; CPU time 10633.328125
11:51:50 (32908): 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: 160891471 bytes.
Dumping objects ->
{3835318} normal block at 0x00000274E927D930, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x00000274E927DFC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835296} normal block at 0x00000274E927DD20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835285} normal block at 0x00000274E927DA10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835274} normal block at 0x00000274E6C04FD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835243} normal block at 0x00000274E92C95B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x00000274E92DEB60, 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) : {3835229} normal block at 0x00000274E6BF9100, 8 bytes long.
Data: < áæt > 00 00 E1 E6 74 02 00 00
{3834583} normal block at 0x00000274E92DE950, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x00000274E6BF9880, 8 bytes long.
Data: <°ŸÂæt > B0 9F C2 E6 74 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000274E6BF1C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000274E6BFAD60, 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 0x00000274E6C067C0, 16 bytes long.
Data: <XuÀæt > 58 75 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000274E6C06B30, 16 bytes long.
Data: <0uÀæt > 30 75 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000274E6C02440, 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 0x00000274E6C06720, 16 bytes long.
Data: < uÀæt > 08 75 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000274E6C07080, 16 bytes long.
Data: <àtÀæt > E0 74 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000274E6C06FE0, 16 bytes long.
Data: <¸tÀæt > B8 74 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000274E6C06770, 16 bytes long.
Data: < tÀæt > 90 74 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000274E6C05040, 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 0x00000274E6C06C70, 16 bytes long.
Data: <x ¿æt > 78 07 BF E6 74 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000274E6C02620, 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 0x00000274E6C06950, 16 bytes long.
Data: <P ¿æt > 50 07 BF E6 74 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000274E6C06270, 16 bytes long.
Data: <( ¿æt > 28 07 BF E6 74 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000274E6C06590, 16 bytes long.
Data: < ¿æt > 00 07 BF E6 74 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000274E6C06630, 16 bytes long.
Data: <Ø ¿æt > D8 06 BF E6 74 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000274E6C066D0, 16 bytes long.
Data: <° ¿æt > B0 06 BF E6 74 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000274E6C06EA0, 16 bytes long.
Data: < ¿æt > 88 06 BF E6 74 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000274E6C02B60, 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 0x00000274E6C06540, 16 bytes long.
Data: <` ¿æt > 60 06 BF E6 74 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000274E6BF0660, 320 bytes long.
Data: <@eÀæt `+Àæt > 40 65 C0 E6 74 02 00 00 60 2B C0 E6 74 02 00 00
{280} normal block at 0x00000274E6C07120, 16 bytes long.
Data: <ptÀæt > 70 74 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000274E6C06900, 16 bytes long.
Data: <HtÀæt > 48 74 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000274E6C02260, 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 0x00000274E6C063B0, 16 bytes long.
Data: < tÀæt > 20 74 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000274E6C02AA0, 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 0x00000274E6C06360, 16 bytes long.
Data: <hsÀæt > 68 73 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000274E6C06F40, 16 bytes long.
Data: <@sÀæt > 40 73 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000274E6C06BD0, 16 bytes long.
Data: < sÀæt > 18 73 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000274E6C06CC0, 16 bytes long.
Data: <ðrÀæt > F0 72 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000274E6C06EF0, 16 bytes long.
Data: <ÈrÀæt > C8 72 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000274E6C06F90, 16 bytes long.
Data: < rÀæt > A0 72 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000274E6C06810, 16 bytes long.
Data: < NÀæt > 10 4E C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000274E6C04E10, 40 bytes long.
Data: < hÀæt °•,ét > 10 68 C0 E6 74 02 00 00 B0 95 2C E9 74 02 00 00
{266} normal block at 0x00000274E6C06E00, 16 bytes long.
Data: < rÀæt > 80 72 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000274E6C064F0, 16 bytes long.
Data: <XrÀæt > 58 72 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000274E6C02800, 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 0x00000274E6C064A0, 16 bytes long.
Data: <0rÀæt > 30 72 C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000274E6C07230, 992 bytes long.
Data: < dÀæt (Àæt > A0 64 C0 E6 74 02 00 00 00 28 C0 E6 74 02 00 00
{98} normal block at 0x00000274E6C02380, 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 0x00000274E6BF9290, 16 bytes long.
Data: < MÀæt > A0 4D C0 E6 74 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000274E6C04DA0, 40 bytes long.
Data: < ’¿æt #Àæt > 90 92 BF E6 74 02 00 00 80 23 C0 E6 74 02 00 00
{75} normal block at 0x00000274E6BF8F70, 16 bytes long.
Data: < êV-ö > 80 EA 56 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000274E6BF91A0, 16 bytes long.
Data: <@éV-ö > 40 E9 56 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000274E6BF92E0, 16 bytes long.
Data: <øWS-ö > F8 57 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000274E6BF93D0, 16 bytes long.
Data: <ØWS-ö > D8 57 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000274E6BF9B00, 16 bytes long.
Data: <P S-ö > 50 04 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000274E6BF9970, 16 bytes long.
Data: <0 S-ö > 30 04 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000274E6BF9150, 16 bytes long.
Data: <à S-ö > E0 02 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000274E6BF8F20, 16 bytes long.
Data: < S-ö > 10 04 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000274E6BF95B0, 16 bytes long.
Data: <p S-ö > 70 04 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000274E6BF91F0, 16 bytes long.
Data: < ÀQ-ö > 18 C0 51 2D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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