Task 38583062
| Name | HIF2A_A13_A11_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND0338_0 |
| Workunit | 31547265 |
| Created | 13 Dec 2025, 18:26:42 UTC |
| Sent | 13 Dec 2025, 18:26:45 UTC |
| Report deadline | 18 Dec 2025, 18:26:45 UTC |
| Received | 17 Dec 2025, 17:10:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 477993 |
| Run time | 10 hours 34 min 40 sec |
| CPU time | 9 hours 24 min 30 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 11,883.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 425.55 MB |
| Peak swap size | 4.97 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:45:39 (23208): wrapper (7.9.26016): starting
19:45:39 (23208): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A11_0.pdb
QB_A13_A11_0.xml
QB_A13_A11_equil.pdb
QB_A13_A11.inpcrd
QB_A13_A11_input.yaml
QB_A13_A11_mdlambda.pdb
QB_A13_A11_min.pdb
QB_A13_A11_npt.pdb
QB_A13_A11.pdb
QB_A13_A11.prmtop
QB_A13_A11_sys.xml
QB_A13_A11_therm.pdb
run.bat
run.sh
19:45:42 (23208): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:45:42 (23208): 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\14\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\14\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
06:16:57 (23208): C:/Windows/system32/cmd.exe exited; CPU time 33870.734375
06:16:57 (23208): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 656679149 bytes.
Dumping objects ->
{3835228} normal block at 0x00000153848B40A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x00000153848B37E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x00000153848B3930, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835195} normal block at 0x00000153848B3EE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x00000153848B38C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835153} normal block at 0x0000015382C0AD80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835142} normal block at 0x0000015382C3DE80, 141 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) : {3835139} normal block at 0x0000015382BDDEC0, 8 bytes long.
Data: < ƒS > 00 00 13 83 53 01 00 00
{3834541} normal block at 0x0000015382C3DCE0, 141 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 0x0000015382BDD790, 8 bytes long.
Data: < Ù¼‚S > 20 D9 BC 82 53 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000015382BD13F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000015382BD18D0, 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 0x0000015382BE5AA0, 16 bytes long.
Data: < g¾‚S > 98 67 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000015382BE5BE0, 16 bytes long.
Data: <pg¾‚S > 70 67 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015382BE09F0, 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 0x0000015382BE5A00, 16 bytes long.
Data: <Hg¾‚S > 48 67 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000015382BE59B0, 16 bytes long.
Data: < g¾‚S > 20 67 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015382BE6310, 16 bytes long.
Data: <øf¾‚S > F8 66 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015382BE5E60, 16 bytes long.
Data: <Ðf¾‚S > D0 66 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015382BE0560, 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 0x0000015382BE5780, 16 bytes long.
Data: <¨)½‚S > A8 29 BD 82 53 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015382BE15F0, 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 0x0000015382BE5A50, 16 bytes long.
Data: < )½‚S > 80 29 BD 82 53 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015382BE5CD0, 16 bytes long.
Data: <X)½‚S > 58 29 BD 82 53 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015382BE6180, 16 bytes long.
Data: <0)½‚S > 30 29 BD 82 53 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015382BE5B90, 16 bytes long.
Data: < )½‚S > 08 29 BD 82 53 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015382BE5C80, 16 bytes long.
Data: <à(½‚S > E0 28 BD 82 53 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000015382BE6130, 16 bytes long.
Data: <¸(½‚S > B8 28 BD 82 53 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015382BE1830, 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 0x0000015382BE6040, 16 bytes long.
Data: < (½‚S > 90 28 BD 82 53 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015382BD2890, 320 bytes long.
Data: <@`¾‚S 0 ¾‚S > 40 60 BE 82 53 01 00 00 30 18 BE 82 53 01 00 00
{275} normal block at 0x0000015382BE5960, 16 bytes long.
Data: <°f¾‚S > B0 66 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000015382BE62C0, 16 bytes long.
Data: < f¾‚S > 88 66 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015382BE1530, 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 0x0000015382BE5B40, 16 bytes long.
Data: <`f¾‚S > 60 66 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015382BE0B10, 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 0x0000015382BE5D20, 16 bytes long.
Data: <¨e¾‚S > A8 65 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015382BE5550, 16 bytes long.
Data: < e¾‚S > 80 65 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015382BE60E0, 16 bytes long.
Data: <Xe¾‚S > 58 65 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015382BE5820, 16 bytes long.
Data: <0e¾‚S > 30 65 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015382BE5910, 16 bytes long.
Data: < e¾‚S > 08 65 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015382BE6270, 16 bytes long.
Data: <àd¾‚S > E0 64 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015382BE5E10, 16 bytes long.
Data: <à ¾‚S > E0 01 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015382BE01E0, 40 bytes long.
Data: < ^¾‚S ­À‚S > 10 5E BE 82 53 01 00 00 80 AD C0 82 53 01 00 00
{261} normal block at 0x0000015382BE5C30, 16 bytes long.
Data: <Àd¾‚S > C0 64 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000015382BE6220, 16 bytes long.
Data: < d¾‚S > 98 64 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015382BE1410, 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 0x0000015382BE5730, 16 bytes long.
Data: <pd¾‚S > 70 64 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000015382BE6470, 992 bytes long.
Data: <0W¾‚S ¾‚S > 30 57 BE 82 53 01 00 00 10 14 BE 82 53 01 00 00
{93} normal block at 0x0000015382BE1470, 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 0x0000015382BDD600, 16 bytes long.
Data: < ¾‚S > 00 08 BE 82 53 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000015382BE0800, 40 bytes long.
Data: < Ö½‚S p ¾‚S > 00 D6 BD 82 53 01 00 00 70 14 BE 82 53 01 00 00
{70} normal block at 0x0000015382BDD5B0, 16 bytes long.
Data: < ê~»ö > 80 EA 7E BB F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015382BDDFB0, 16 bytes long.
Data: <@é~»ö > 40 E9 7E BB F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015382BDD1A0, 16 bytes long.
Data: <øW{»ö > F8 57 7B BB F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015382BDD560, 16 bytes long.
Data: <ØW{»ö > D8 57 7B BB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015382BDD330, 16 bytes long.
Data: <P {»ö > 50 04 7B BB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015382BDD290, 16 bytes long.
Data: <0 {»ö > 30 04 7B BB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015382BDD9C0, 16 bytes long.
Data: <à {»ö > E0 02 7B BB F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015382BDD240, 16 bytes long.
Data: < {»ö > 10 04 7B BB F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000015382BDD510, 16 bytes long.
Data: <p {»ö > 70 04 7B BB F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000015382BDD1F0, 16 bytes long.
Data: < Ày»ö > 18 C0 79 BB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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