Task 38581958
| Name | HIF2A_A41_A18_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND0062_0 |
| Workunit | 31546343 |
| Created | 12 Dec 2025, 18:00:02 UTC |
| Sent | 12 Dec 2025, 18:00:07 UTC |
| Report deadline | 17 Dec 2025, 18:00:07 UTC |
| Received | 12 Dec 2025, 22:26:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 585156 |
| Run time | 4 hours 23 min 53 sec |
| CPU time | 4 hours 20 min 47 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 43,947.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 489.34 MB |
| Peak swap size | 6.62 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:01:52 (29612): wrapper (7.9.26016): starting
19:01:52 (29612): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A18_0.pdb
QB_A41_A18_0.xml
QB_A41_A18_equil.pdb
QB_A41_A18.inpcrd
QB_A41_A18_input.yaml
QB_A41_A18_mdlambda.pdb
QB_A41_A18_min.pdb
QB_A41_A18_npt.pdb
QB_A41_A18.pdb
QB_A41_A18.prmtop
QB_A41_A18_sys.xml
QB_A41_A18_therm.pdb
run.bat
run.sh
19:01:54 (29612): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:01:54 (29612): 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\13\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\13\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
23:24:36 (29612): C:/Windows/system32/cmd.exe exited; CPU time 15647.234375
23:24:36 (29612): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 348098002 bytes.
Dumping objects ->
{3835239} normal block at 0x0000014D83639E40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x0000014D8363A930, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x0000014D8363A690, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835206} normal block at 0x0000014D8363AA80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835195} normal block at 0x0000014D819AD8E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835164} normal block at 0x0000014D835DEAC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835153} normal block at 0x0000014D83607BD0, 85 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) : {3835150} normal block at 0x0000014D819A6CB0, 8 bytes long.
Data: < 8ƒM > 00 00 38 83 4D 01 00 00
{3834544} normal block at 0x0000014D836078B0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000014D819A71B0, 8 bytes long.
Data: <ð cƒM > F0 90 63 83 4D 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000014D819B3FC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000014D81996110, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000014D819B52D0, 16 bytes long.
Data: <¸`› M > B8 60 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000014D819B5000, 16 bytes long.
Data: < `› M > 90 60 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000014D819ABBA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000014D819B5500, 16 bytes long.
Data: <h`› M > 68 60 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000014D819B4DD0, 16 bytes long.
Data: <@`› M > 40 60 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000014D819B59B0, 16 bytes long.
Data: < `› M > 18 60 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000014D819B5960, 16 bytes long.
Data: <ð_› M > F0 5F 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000014D819ADC60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000014D819B51E0, 16 bytes long.
Data: <¨` M > A8 60 99 81 4D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000014D819AC200, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000014D819B5870, 16 bytes long.
Data: < ` M > 80 60 99 81 4D 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014D819B5320, 16 bytes long.
Data: <X` M > 58 60 99 81 4D 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000014D819B4FB0, 16 bytes long.
Data: <0` M > 30 60 99 81 4D 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014D819B4F10, 16 bytes long.
Data: < ` M > 08 60 99 81 4D 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014D819B5280, 16 bytes long.
Data: <à_ M > E0 5F 99 81 4D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000014D819B5820, 16 bytes long.
Data: <¸_ M > B8 5F 99 81 4D 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000014D819AC020, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000014D819B57D0, 16 bytes long.
Data: < _ M > 90 5F 99 81 4D 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000014D81995F90, 320 bytes long.
Data: <ÐW› M Àš M > D0 57 9B 81 4D 01 00 00 20 C0 9A 81 4D 01 00 00
{276} normal block at 0x0000014D819B5D20, 16 bytes long.
Data: <Ð_› M > D0 5F 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000014D819B5C30, 16 bytes long.
Data: <¨_› M > A8 5F 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000014D819AB9C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000014D819B5910, 16 bytes long.
Data: < _› M > 80 5F 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000014D819AB960, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000014D819B4E20, 16 bytes long.
Data: <È^› M > C8 5E 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000014D819B5CD0, 16 bytes long.
Data: < ^› M > A0 5E 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000014D819B54B0, 16 bytes long.
Data: <x^› M > 78 5E 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000014D819B5C80, 16 bytes long.
Data: <P^› M > 50 5E 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000014D819B5BE0, 16 bytes long.
Data: <(^› M > 28 5E 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000014D819B5B90, 16 bytes long.
Data: < ^› M > 00 5E 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000014D819B5A50, 16 bytes long.
Data: <ðÛš M > F0 DB 9A 81 4D 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000014D819ADBF0, 40 bytes long.
Data: <PZ› M Àê]ƒM > 50 5A 9B 81 4D 01 00 00 C0 EA 5D 83 4D 01 00 00
{262} normal block at 0x0000014D819B56E0, 16 bytes long.
Data: <à]› M > E0 5D 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000014D819B50F0, 16 bytes long.
Data: <¸]› M > B8 5D 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000014D819AC2C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000014D819B5690, 16 bytes long.
Data: < ]› M > 90 5D 9B 81 4D 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000014D819B5D90, 992 bytes long.
Data: < V› M Àš M > 90 56 9B 81 4D 01 00 00 C0 C2 9A 81 4D 01 00 00
{94} normal block at 0x0000014D819AC4A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000014D819A6AD0, 16 bytes long.
Data: < Øš M > 00 D8 9A 81 4D 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000014D819AD800, 40 bytes long.
Data: <Ðjš M  Äš M > D0 6A 9A 81 4D 01 00 00 A0 C4 9A 81 4D 01 00 00
{71} normal block at 0x0000014D819A7890, 16 bytes long.
Data: < 꾧ö > 80 EA BE A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000014D819A6DF0, 16 bytes long.
Data: <@龧ö > 40 E9 BE A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000014D819A7110, 16 bytes long.
Data: <øW»§ö > F8 57 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000014D819A7610, 16 bytes long.
Data: <ØW»§ö > D8 57 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000014D819A75C0, 16 bytes long.
Data: <P »§ö > 50 04 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000014D819A7840, 16 bytes long.
Data: <0 »§ö > 30 04 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000014D819A7520, 16 bytes long.
Data: <à »§ö > E0 02 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000014D819A7160, 16 bytes long.
Data: < »§ö > 10 04 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000014D819A6F80, 16 bytes long.
Data: <p »§ö > 70 04 BB A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000014D819A7570, 16 bytes long.
Data: < À¹§ö > 18 C0 B9 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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