Task 38582774
| Name | HIF2A_A14_A20_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-4-5-RND6664_0 |
| Workunit | 31547034 |
| Created | 13 Dec 2025, 11:37:54 UTC |
| Sent | 13 Dec 2025, 11:37:58 UTC |
| Report deadline | 18 Dec 2025, 11:37:58 UTC |
| Received | 13 Dec 2025, 22:48:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625114 |
| Run time | 10 hours 30 min 15 sec |
| CPU time | 10 hours 30 min 15 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 1,900.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 439.98 MB |
| Peak swap size | 4.88 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.6</core_client_version>
<![CDATA[
<stderr_txt>
07:11:59 (6416): wrapper (7.9.26016): starting
07:11:59 (6416): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A20_0.pdb
QB_A14_A20_0.xml
QB_A14_A20_equil.pdb
QB_A14_A20.inpcrd
QB_A14_A20_input.yaml
QB_A14_A20_mdlambda.pdb
QB_A14_A20_min.pdb
QB_A14_A20_npt.pdb
QB_A14_A20.pdb
QB_A14_A20.prmtop
QB_A14_A20_sys.xml
QB_A14_A20_therm.pdb
run.bat
run.sh
07:12:27 (6416): Library/usr/bin/tar.exe exited; CPU time 1.078125
07:12:27 (6416): 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 'S:\BOINC\slots\3\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 'S:\BOINC\slots\3\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
17:48:07 (6416): C:/Windows/system32/cmd.exe exited; CPU time 37814.500000
17:48:07 (6416): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 880283235 bytes.
Dumping objects ->
{3835299} normal block at 0x000001BDF2EF0AE0, 48 bytes long.
Data: <PATH=S:\BOINC\sl> 50 41 54 48 3D 53 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835288} normal block at 0x000001BDF305ABC0, 32 bytes long.
Data: <HOME=S:\BOINC\sl> 48 4F 4D 45 3D 53 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835277} normal block at 0x000001BDF305AAA0, 32 bytes long.
Data: <TMP=S:\BOINC\slo> 54 4D 50 3D 53 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835266} normal block at 0x000001BDF305A860, 32 bytes long.
Data: <TEMP=S:\BOINC\sl> 54 45 4D 50 3D 53 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835255} normal block at 0x000001BDF305A440, 32 bytes long.
Data: <TMPDIR=S:\BOINC\> 54 4D 50 44 49 52 3D 53 3A 5C 42 4F 49 4E 43 5C
{3835224} normal block at 0x000001BDF2EF08B0, 48 bytes long.
Data: <PATH=S:\BOINC\sl> 50 41 54 48 3D 53 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835211} normal block at 0x000001BDF0AA0E80, 8 bytes long.
Data: < Kò½ > 00 00 4B F2 BD 01 00 00
{3833979} normal block at 0x000001BDF0AA1970, 8 bytes long.
Data: < '±ð½ > 00 27 B1 F0 BD 01 00 00
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x000001BDF0A81EE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001BDF0A82660, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{305} normal block at 0x000001BDF0AA1510, 16 bytes long.
Data: <8 ªð½ > 38 0D AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001BDF0AA13D0, 16 bytes long.
Data: < ªð½ > 10 0D AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001BDF0A99730, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{302} normal block at 0x000001BDF0AA1D80, 16 bytes long.
Data: <è ªð½ > E8 0C AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001BDF0A9D7A0, 16 bytes long.
Data: <À ªð½ > C0 0C AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001BDF0A9D750, 16 bytes long.
Data: < ªð½ > 98 0C AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001BDF0A9D3E0, 16 bytes long.
Data: <p ªð½ > 70 0C AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001BDF0A9B960, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{297} normal block at 0x000001BDF0A9DE80, 16 bytes long.
Data: <x ªð½ > 78 04 AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BDF0A99670, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{295} normal block at 0x000001BDF0A9D930, 16 bytes long.
Data: <P ªð½ > 50 04 AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BDF0A9D390, 16 bytes long.
Data: <( ªð½ > 28 04 AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BDF0A9D8E0, 16 bytes long.
Data: < ªð½ > 00 04 AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BDF0A9D340, 16 bytes long.
Data: <Ø ªð½ > D8 03 AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BDF0A9DCF0, 16 bytes long.
Data: <° ªð½ > B0 03 AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BDF0A9DD90, 16 bytes long.
Data: < ªð½ > 88 03 AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BDF0A9A270, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{287} normal block at 0x000001BDF0A9DC50, 16 bytes long.
Data: <` ªð½ > 60 03 AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BDF0AA0360, 320 bytes long.
Data: <PÜ©ð½ p¢©ð½ > 50 DC A9 F0 BD 01 00 00 70 A2 A9 F0 BD 01 00 00
{285} normal block at 0x000001BDF0A9D6B0, 16 bytes long.
Data: <P ªð½ > 50 0C AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BDF0A9D2F0, 16 bytes long.
Data: <( ªð½ > 28 0C AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BDF0A99F10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{282} normal block at 0x000001BDF0A9D160, 16 bytes long.
Data: < ªð½ > 00 0C AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BDF0A995B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{280} normal block at 0x000001BDF0A9D890, 16 bytes long.
Data: <H ªð½ > 48 0B AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BDF0A9DC00, 16 bytes long.
Data: < ªð½ > 20 0B AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BDF0A9D2A0, 16 bytes long.
Data: <ø ªð½ > F8 0A AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BDF0A9DB60, 16 bytes long.
Data: <Ð ªð½ > D0 0A AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BDF0A9D0C0, 16 bytes long.
Data: <¨ ªð½ > A8 0A AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BDF0A9D020, 16 bytes long.
Data: < ªð½ > 80 0A AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BDF0A9DA70, 16 bytes long.
Data: < ¸©ð½ > 80 B8 A9 F0 BD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BDF0A9B880, 40 bytes long.
Data: <pÚ©ð½ ° ïò½ > 70 DA A9 F0 BD 01 00 00 B0 08 EF F2 BD 01 00 00
{271} normal block at 0x000001BDF0A9D610, 16 bytes long.
Data: <` ªð½ > 60 0A AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BDF0A9DE30, 16 bytes long.
Data: <8 ªð½ > 38 0A AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BDF0A994F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{268} normal block at 0x000001BDF0A9CFD0, 16 bytes long.
Data: < ªð½ > 10 0A AA F0 BD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BDF0AA0A10, 992 bytes long.
Data: <ÐÏ©ð½ ð”©ð½ > D0 CF A9 F0 BD 01 00 00 F0 94 A9 F0 BD 01 00 00
{103} normal block at 0x000001BDF0A99E50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{102} normal block at 0x000001BDF0A9D4D0, 16 bytes long.
Data: < ·©ð½ > A0 B7 A9 F0 BD 01 00 00 00 00 00 00 00 00 00 00
{101} normal block at 0x000001BDF0A9B7A0, 40 bytes long.
Data: <ÐÔ©ð½ Pž©ð½ > D0 D4 A9 F0 BD 01 00 00 50 9E A9 F0 BD 01 00 00
{80} normal block at 0x000001BDF0A9D110, 16 bytes long.
Data: < êæ„÷ > 80 EA E6 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001BDF0A9DB10, 16 bytes long.
Data: <@éæ„÷ > 40 E9 E6 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001BDF0A9DAC0, 16 bytes long.
Data: <øWã„÷ > F8 57 E3 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001BDF0A9D570, 16 bytes long.
Data: <ØWã„÷ > D8 57 E3 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001BDF0A9D520, 16 bytes long.
Data: <P ã„÷ > 50 04 E3 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001BDF0A9D480, 16 bytes long.
Data: <0 ã„÷ > 30 04 E3 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001BDF0A8E7B0, 16 bytes long.
Data: <à ã„÷ > E0 02 E3 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001BDF0A8E760, 16 bytes long.
Data: < ã„÷ > 10 04 E3 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001BDF0A8E620, 16 bytes long.
Data: <p ã„÷ > 70 04 E3 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BDF0A8E5D0, 16 bytes long.
Data: < Àá„÷ > 18 C0 E1 84 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra