Task 38581569
| Name | HIF2A_A41_A19_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND1416_0 |
| Workunit | 31546088 |
| Created | 12 Dec 2025, 10:52:34 UTC |
| Sent | 12 Dec 2025, 10:53:26 UTC |
| Report deadline | 17 Dec 2025, 10:53:26 UTC |
| Received | 12 Dec 2025, 19:17:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629402 |
| Run time | 2 hours 46 min 27 sec |
| CPU time | 1 hours 53 min 10 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,624.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 494.29 MB |
| Peak swap size | 12.57 GB |
| Peak disk usage | 2.93 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:30:27 (28552): wrapper (7.9.26016): starting
10:30:27 (28552): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A19_0.pdb
QB_A41_A19_0.xml
QB_A41_A19_equil.pdb
QB_A41_A19.inpcrd
QB_A41_A19_input.yaml
QB_A41_A19_mdlambda.pdb
QB_A41_A19_min.pdb
QB_A41_A19_npt.pdb
QB_A41_A19.pdb
QB_A41_A19.prmtop
QB_A41_A19_sys.xml
QB_A41_A19_therm.pdb
run.bat
run.sh
10:30:28 (28552): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:30:28 (28552): 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\6\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\6\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
13:16:09 (28552): C:/Windows/system32/cmd.exe exited; CPU time 6790.296875
13:16:09 (28552): 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: 181278427 bytes.
Dumping objects ->
{3835309} normal block at 0x0000020A88E7CEB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x0000020A88E7C820, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x0000020A88E7CF90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x0000020A870E4C70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x0000020A870E4C00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x0000020A88EC3940, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x0000020A88EDE360, 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) : {3835220} normal block at 0x0000020A870DDB60, 8 bytes long.
Data: < ‡ > 00 00 0A 87 0A 02 00 00
{3834573} normal block at 0x0000020A88EDE2B0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x0000020A870DDED0, 8 bytes long.
Data: <pØ ‡ > 70 D8 0C 87 0A 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020A870D1060, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020A870D1850, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000020A870E5BB0, 16 bytes long.
Data: <(f ‡ > 28 66 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020A870E5750, 16 bytes long.
Data: < f ‡ > 00 66 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020A870E1050, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000020A870E5E80, 16 bytes long.
Data: <Øe ‡ > D8 65 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020A870E5A70, 16 bytes long.
Data: <°e ‡ > B0 65 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020A870E55C0, 16 bytes long.
Data: < e ‡ > 88 65 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020A870E5A20, 16 bytes long.
Data: <`e ‡ > 60 65 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020A870E4D50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000020A870E5E30, 16 bytes long.
Data: < ‡ > 88 16 0D 87 0A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020A870E0DB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000020A870E5D40, 16 bytes long.
Data: <` ‡ > 60 16 0D 87 0A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020A870E5570, 16 bytes long.
Data: <8 ‡ > 38 16 0D 87 0A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020A870E61A0, 16 bytes long.
Data: < ‡ > 10 16 0D 87 0A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020A870E5520, 16 bytes long.
Data: <è ‡ > E8 15 0D 87 0A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020A870E5700, 16 bytes long.
Data: <À ‡ > C0 15 0D 87 0A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020A870E54D0, 16 bytes long.
Data: < ‡ > 98 15 0D 87 0A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020A870E0930, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000020A870E5480, 16 bytes long.
Data: <p ‡ > 70 15 0D 87 0A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020A870D1570, 320 bytes long.
Data: < T ‡ 0 ‡ > 80 54 0E 87 0A 02 00 00 30 09 0E 87 0A 02 00 00
{275} normal block at 0x0000020A870E5B60, 16 bytes long.
Data: <@e ‡ > 40 65 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020A870E56B0, 16 bytes long.
Data: < e ‡ > 18 65 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020A870E0FF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000020A870E5980, 16 bytes long.
Data: <ðd ‡ > F0 64 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020A870E0BD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000020A870E5DE0, 16 bytes long.
Data: <8d ‡ > 38 64 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020A870E60B0, 16 bytes long.
Data: < d ‡ > 10 64 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020A870E5CF0, 16 bytes long.
Data: <èc ‡ > E8 63 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020A870E5CA0, 16 bytes long.
Data: <Àc ‡ > C0 63 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020A870E61F0, 16 bytes long.
Data: < c ‡ > 98 63 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020A870E58E0, 16 bytes long.
Data: <pc ‡ > 70 63 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020A870E6100, 16 bytes long.
Data: <°J ‡ > B0 4A 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020A870E4AB0, 40 bytes long.
Data: < a ‡ @9ì > 00 61 0E 87 0A 02 00 00 40 39 EC 88 0A 02 00 00
{261} normal block at 0x0000020A870E5340, 16 bytes long.
Data: <Pc ‡ > 50 63 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020A870E57A0, 16 bytes long.
Data: <(c ‡ > 28 63 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020A870E1530, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000020A870E5430, 16 bytes long.
Data: < c ‡ > 00 63 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020A870E6300, 992 bytes long.
Data: <0T ‡ 0 ‡ > 30 54 0E 87 0A 02 00 00 30 15 0E 87 0A 02 00 00
{93} normal block at 0x0000020A870E0810, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000020A870DD750, 16 bytes long.
Data: <0N ‡ > 30 4E 0E 87 0A 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000020A870E4E30, 40 bytes long.
Data: <P× ‡ ‡ > 50 D7 0D 87 0A 02 00 00 10 08 0E 87 0A 02 00 00
{70} normal block at 0x0000020A870DD2F0, 16 bytes long.
Data: < ê Q÷ > 80 EA 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020A870DD200, 16 bytes long.
Data: <@é Q÷ > 40 E9 1F 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020A870DD700, 16 bytes long.
Data: <øW Q÷ > F8 57 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020A870DD520, 16 bytes long.
Data: <ØW Q÷ > D8 57 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020A870DD0C0, 16 bytes long.
Data: <P Q÷ > 50 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020A870DDB10, 16 bytes long.
Data: <0 Q÷ > 30 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020A870DD570, 16 bytes long.
Data: <à Q÷ > E0 02 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020A870DD9D0, 16 bytes long.
Data: < Q÷ > 10 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020A870DD1B0, 16 bytes long.
Data: <p Q÷ > 70 04 1C 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020A870DDCA0, 16 bytes long.
Data: < À Q÷ > 18 C0 1A 51 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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