Task 38582021
| Name | HIF2A_A03_A42_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND7896_0 |
| Workunit | 31546396 |
| Created | 12 Dec 2025, 19:24:02 UTC |
| Sent | 12 Dec 2025, 19:24:03 UTC |
| Report deadline | 17 Dec 2025, 19:24:03 UTC |
| Received | 12 Dec 2025, 22:19:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645418 |
| Run time | 2 hours 50 min 1 sec |
| CPU time | 2 hours 44 min 38 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,857.13 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 468.11 MB |
| Peak swap size | 5.01 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:29:09 (11644): wrapper (7.9.26016): starting
03:29:09 (11644): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A42_0.pdb
QB_A03_A42_0.xml
QB_A03_A42_equil.pdb
QB_A03_A42.inpcrd
QB_A03_A42_input.yaml
QB_A03_A42_mdlambda.pdb
QB_A03_A42_min.pdb
QB_A03_A42_npt.pdb
QB_A03_A42.pdb
QB_A03_A42.prmtop
QB_A03_A42_sys.xml
QB_A03_A42_therm.pdb
run.bat
run.sh
03:29:10 (11644): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:29:10 (11644): 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
06:18:06 (11644): C:/Windows/system32/cmd.exe exited; CPU time 9878.937500
06:18:06 (11644): 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: 138696571 bytes.
Dumping objects ->
{3835349} normal block at 0x000001AC777870A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835338} normal block at 0x000001AC77786E70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835327} normal block at 0x000001AC77787030, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835316} normal block at 0x000001AC77786E00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835305} normal block at 0x000001AC77787490, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835274} normal block at 0x000001AC797E58C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835261} normal block at 0x000001AC7777DAB0, 8 bytes long.
Data: < w > 00 00 BC 77 AC 01 00 00
{3834069} normal block at 0x000001AC7777D9C0, 8 bytes long.
Data: < = y > 10 3D 87 79 AC 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001AC77771050, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001AC777726E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001AC77785E40, 16 bytes long.
Data: < lxw > B8 6C 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001AC77786480, 16 bytes long.
Data: < lxw > 90 6C 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001AC777808B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001AC77786340, 16 bytes long.
Data: <hlxw > 68 6C 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AC77785BC0, 16 bytes long.
Data: <@lxw > 40 6C 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001AC77786070, 16 bytes long.
Data: < lxw > 18 6C 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001AC77786430, 16 bytes long.
Data: < kxw > F0 6B 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AC77787180, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001AC777857B0, 16 bytes long.
Data: <h xw > 68 19 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AC777807F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001AC77785710, 16 bytes long.
Data: <@ xw > 40 19 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AC77785D50, 16 bytes long.
Data: < xw > 18 19 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AC777862A0, 16 bytes long.
Data: < xw > F0 18 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AC777861B0, 16 bytes long.
Data: < xw > C8 18 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AC77785B20, 16 bytes long.
Data: < xw > A0 18 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AC77785FD0, 16 bytes long.
Data: <x xw > 78 18 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AC77780790, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001AC77785A30, 16 bytes long.
Data: <P xw > 50 18 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AC77781850, 320 bytes long.
Data: <0Zxw xw > 30 5A 78 77 AC 01 00 00 90 07 78 77 AC 01 00 00
{279} normal block at 0x000001AC77786200, 16 bytes long.
Data: < kxw > D0 6B 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AC777859E0, 16 bytes long.
Data: < kxw > A8 6B 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AC7777FB90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001AC77786020, 16 bytes long.
Data: < kxw > 80 6B 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AC7777FD10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001AC777856C0, 16 bytes long.
Data: < jxw > C8 6A 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AC77786390, 16 bytes long.
Data: < jxw > A0 6A 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AC77785B70, 16 bytes long.
Data: <xjxw > 78 6A 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AC777855D0, 16 bytes long.
Data: <Pjxw > 50 6A 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AC777863E0, 16 bytes long.
Data: <(jxw > 28 6A 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AC77785AD0, 16 bytes long.
Data: < jxw > 00 6A 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AC77785DF0, 16 bytes long.
Data: < vw > D0 D7 76 77 AC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AC7776D7D0, 40 bytes long.
Data: < ]xw X~y > F0 5D 78 77 AC 01 00 00 C0 58 7E 79 AC 01 00 00
{265} normal block at 0x000001AC77785990, 16 bytes long.
Data: < ixw > E0 69 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AC77786520, 16 bytes long.
Data: < ixw > B8 69 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AC7777FE30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001AC77785760, 16 bytes long.
Data: < ixw > 90 69 78 77 AC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AC77786990, 992 bytes long.
Data: <`Wxw 0 ww > 60 57 78 77 AC 01 00 00 30 FE 77 77 AC 01 00 00
{97} normal block at 0x000001AC777803D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001AC7777E500, 16 bytes long.
Data: < vw > F0 E3 76 77 AC 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001AC7776E3F0, 40 bytes long.
Data: < ww xw > 00 E5 77 77 AC 01 00 00 D0 03 78 77 AC 01 00 00
{72} normal block at 0x000001AC7777E4B0, 16 bytes long.
Data: < ZW > 80 EA 5A 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001AC7777DC40, 16 bytes long.
Data: <@ ZW > 40 E9 5A 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001AC7777E410, 16 bytes long.
Data: < WWW > F8 57 57 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001AC7777DBA0, 16 bytes long.
Data: < WWW > D8 57 57 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001AC7777E690, 16 bytes long.
Data: <P WW > 50 04 57 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001AC7777E230, 16 bytes long.
Data: <0 WW > 30 04 57 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AC7777D970, 16 bytes long.
Data: < WW > E0 02 57 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AC7777D8D0, 16 bytes long.
Data: < WW > 10 04 57 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AC7777E5F0, 16 bytes long.
Data: <p WW > 70 04 57 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AC7777DD80, 16 bytes long.
Data: < UW > 18 C0 55 57 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra