Task 38582039
| Name | HIF2A_A14_A20_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND0867_0 |
| Workunit | 31546410 |
| Created | 12 Dec 2025, 19:42:55 UTC |
| Sent | 12 Dec 2025, 19:42:59 UTC |
| Report deadline | 17 Dec 2025, 19:42:59 UTC |
| Received | 13 Dec 2025, 6:48:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637325 |
| Run time | 6 hours 15 min 55 sec |
| CPU time | 5 hours 53 min 33 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 4,572.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 645.82 MB |
| Peak swap size | 1.90 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:34:20 (8872): wrapper (7.9.26016): starting
02:34:20 (8872): 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
02:34:21 (8872): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:34:21 (8872): 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
08:48:28 (8872): C:/Windows/system32/cmd.exe exited; CPU time 21213.937500
08:48:28 (8872): 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: 255859995 bytes.
Dumping objects ->
{3835195} normal block at 0x000001DA9E1615D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x000001DA9E1612C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835173} normal block at 0x000001DA9E1614F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835162} normal block at 0x000001DA9E160E60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835151} normal block at 0x000001DA9E160840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835120} normal block at 0x000001DA9E2518E0, 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) : {3835106} normal block at 0x000001DA9C625A20, 8 bytes long.
Data: < \œÚ > 00 00 5C 9C DA 01 00 00
{3833949} normal block at 0x000001DA9C625FC0, 8 bytes long.
Data: <ð +žÚ > F0 17 2B 9E DA 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001DA9C630C20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DA9C615CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001DA9C6323E0, 16 bytes long.
Data: < -cœÚ > 18 2D 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DA9C631A80, 16 bytes long.
Data: <ð,cœÚ > F0 2C 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DA9C62B9A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001DA9C632250, 16 bytes long.
Data: <È,cœÚ > C8 2C 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DA9C632110, 16 bytes long.
Data: < ,cœÚ > A0 2C 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DA9C632570, 16 bytes long.
Data: <x,cœÚ > 78 2C 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DA9C6320C0, 16 bytes long.
Data: <P,cœÚ > 50 2C 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DA9C62A7B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001DA9C631A30, 16 bytes long.
Data: < \aœÚ > 88 5C 61 9C DA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DA9C62C1E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001DA9C632750, 16 bytes long.
Data: <`\aœÚ > 60 5C 61 9C DA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DA9C632070, 16 bytes long.
Data: <8\aœÚ > 38 5C 61 9C DA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DA9C632660, 16 bytes long.
Data: < \aœÚ > 10 5C 61 9C DA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DA9C631F30, 16 bytes long.
Data: <è[aœÚ > E8 5B 61 9C DA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DA9C631D00, 16 bytes long.
Data: <À[aœÚ > C0 5B 61 9C DA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DA9C632480, 16 bytes long.
Data: < [aœÚ > 98 5B 61 9C DA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DA9C62B820, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001DA9C631E40, 16 bytes long.
Data: <p[aœÚ > 70 5B 61 9C DA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DA9C615B70, 320 bytes long.
Data: <@ cœÚ ¸bœÚ > 40 1E 63 9C DA 01 00 00 20 B8 62 9C DA 01 00 00
{270} normal block at 0x000001DA9C632390, 16 bytes long.
Data: <0,cœÚ > 30 2C 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DA9C631DF0, 16 bytes long.
Data: < ,cœÚ > 08 2C 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DA9C62C540, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001DA9C6321B0, 16 bytes long.
Data: <à+cœÚ > E0 2B 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DA9C62BA60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001DA9C631CB0, 16 bytes long.
Data: <(+cœÚ > 28 2B 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DA9C632200, 16 bytes long.
Data: < +cœÚ > 00 2B 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DA9C632980, 16 bytes long.
Data: <Ø*cœÚ > D8 2A 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DA9C632430, 16 bytes long.
Data: <°*cœÚ > B0 2A 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DA9C632700, 16 bytes long.
Data: < *cœÚ > 88 2A 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DA9C631BC0, 16 bytes long.
Data: <`*cœÚ > 60 2A 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DA9C631B70, 16 bytes long.
Data: < ¥bœÚ > 10 A5 62 9C DA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DA9C62A510, 40 bytes long.
Data: <p cœÚ à %žÚ > 70 1B 63 9C DA 01 00 00 E0 18 25 9E DA 01 00 00
{256} normal block at 0x000001DA9C631C60, 16 bytes long.
Data: <@*cœÚ > 40 2A 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DA9C632610, 16 bytes long.
Data: < *cœÚ > 18 2A 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001DA9C62C4E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001DA9C632930, 16 bytes long.
Data: <ð)cœÚ > F0 29 63 9C DA 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001DA9C6329F0, 992 bytes long.
Data: <0)cœÚ àÄbœÚ > 30 29 63 9C DA 01 00 00 E0 C4 62 9C DA 01 00 00
{88} normal block at 0x000001DA9C62BD00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001DA9C625E30, 16 bytes long.
Data: <`¦bœÚ > 60 A6 62 9C DA 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001DA9C62A660, 40 bytes long.
Data: <0^bœÚ ½bœÚ > 30 5E 62 9C DA 01 00 00 00 BD 62 9C DA 01 00 00
{65} normal block at 0x000001DA9C625D40, 16 bytes long.
Data: < êunö > 80 EA 75 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DA9C625390, 16 bytes long.
Data: <@éunö > 40 E9 75 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DA9C625CF0, 16 bytes long.
Data: <øWrnö > F8 57 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DA9C625C00, 16 bytes long.
Data: <ØWrnö > D8 57 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DA9C625930, 16 bytes long.
Data: <P rnö > 50 04 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DA9C625F70, 16 bytes long.
Data: <0 rnö > 30 04 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DA9C625AC0, 16 bytes long.
Data: <à rnö > E0 02 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001DA9C6258E0, 16 bytes long.
Data: < rnö > 10 04 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001DA9C6260B0, 16 bytes long.
Data: <p rnö > 70 04 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001DA9C625840, 16 bytes long.
Data: < Àpnö > 18 C0 70 6E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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