Task 38581764
| Name | HIF2A_A36_A09_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND9264_0 |
| Workunit | 31546197 |
| Created | 12 Dec 2025, 14:36:44 UTC |
| Sent | 12 Dec 2025, 14:36:48 UTC |
| Report deadline | 17 Dec 2025, 14:36:48 UTC |
| Received | 13 Dec 2025, 21:22:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618046 |
| Run time | 1 hours 59 min 32 sec |
| CPU time | 1 hours 55 min 5 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 45,121.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 479.01 MB |
| Peak swap size | 11.12 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:22:48 (26200): wrapper (7.9.26016): starting
20:22:48 (26200): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A36_A09_0.pdb
QB_A36_A09_0.xml
QB_A36_A09_equil.pdb
QB_A36_A09.inpcrd
QB_A36_A09_input.yaml
QB_A36_A09_mdlambda.pdb
QB_A36_A09_min.pdb
QB_A36_A09_npt.pdb
QB_A36_A09.pdb
QB_A36_A09.prmtop
QB_A36_A09_sys.xml
QB_A36_A09_therm.pdb
run.bat
run.sh
20:22:50 (26200): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:22:50 (26200): 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\1\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\1\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
22:21:35 (26200): C:/Windows/system32/cmd.exe exited; CPU time 6905.625000
22:21:35 (26200): 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: 148217261 bytes.
Dumping objects ->
{3835276} normal block at 0x000001DC96544CF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001DC96544D60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x000001DC96545070, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835243} normal block at 0x000001DC96544C80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x000001DC96544F90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835201} normal block at 0x000001DC983E7790, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835190} normal block at 0x000001DC983AEC00, 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) : {3835187} normal block at 0x000001DC9653CFF0, 8 bytes long.
Data: < ³–Ü > 00 00 B3 96 DC 01 00 00
{3834566} normal block at 0x000001DC983AE470, 102 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 0x000001DC9653D540, 8 bytes long.
Data: <pÚR–Ü > 70 DA 52 96 DC 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DC9652F870, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DC96531E00, 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 0x000001DC965460C0, 16 bytes long.
Data: <hhT–Ü > 68 68 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DC96546070, 16 bytes long.
Data: <@hT–Ü > 40 68 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DC9653F780, 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 0x000001DC96546200, 16 bytes long.
Data: < hT–Ü > 18 68 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DC96545C60, 16 bytes long.
Data: <ðgT–Ü > F0 67 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DC96546110, 16 bytes long.
Data: <ÈgT–Ü > C8 67 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DC96545C10, 16 bytes long.
Data: < gT–Ü > A0 67 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DC96545000, 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 0x000001DC96545B70, 16 bytes long.
Data: <X S–Ü > 58 00 53 96 DC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DC96540140, 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 0x000001DC965461B0, 16 bytes long.
Data: <0 S–Ü > 30 00 53 96 DC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DC965458F0, 16 bytes long.
Data: < S–Ü > 08 00 53 96 DC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DC96545F80, 16 bytes long.
Data: <àÿR–Ü > E0 FF 52 96 DC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DC96545F30, 16 bytes long.
Data: <¸ÿR–Ü > B8 FF 52 96 DC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DC965462A0, 16 bytes long.
Data: < ÿR–Ü > 90 FF 52 96 DC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DC96545AD0, 16 bytes long.
Data: <hÿR–Ü > 68 FF 52 96 DC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DC9653F900, 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 0x000001DC96545DA0, 16 bytes long.
Data: <@ÿR–Ü > 40 FF 52 96 DC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DC9652FF40, 320 bytes long.
Data: < ]T–Ü ùS–Ü > A0 5D 54 96 DC 01 00 00 00 F9 53 96 DC 01 00 00
{276} normal block at 0x000001DC96545D50, 16 bytes long.
Data: < gT–Ü > 80 67 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DC965458A0, 16 bytes long.
Data: <XgT–Ü > 58 67 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DC9653FA80, 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 0x000001DC96545A80, 16 bytes long.
Data: <0gT–Ü > 30 67 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DC9653FD20, 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 0x000001DC96545620, 16 bytes long.
Data: <xfT–Ü > 78 66 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DC965459E0, 16 bytes long.
Data: <PfT–Ü > 50 66 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DC965457B0, 16 bytes long.
Data: <(fT–Ü > 28 66 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DC96545760, 16 bytes long.
Data: < fT–Ü > 00 66 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DC96545DF0, 16 bytes long.
Data: <ØeT–Ü > D8 65 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DC965463E0, 16 bytes long.
Data: <°eT–Ü > B0 65 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DC965462F0, 16 bytes long.
Data: <@NT–Ü > 40 4E 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DC96544E40, 40 bytes long.
Data: <ðbT–Ü w> Ü > F0 62 54 96 DC 01 00 00 90 77 3E 98 DC 01 00 00
{262} normal block at 0x000001DC96545EE0, 16 bytes long.
Data: < eT–Ü > 90 65 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DC96545A30, 16 bytes long.
Data: <heT–Ü > 68 65 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DC9653F6C0, 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 0x000001DC96546020, 16 bytes long.
Data: <@eT–Ü > 40 65 54 96 DC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DC96546540, 992 bytes long.
Data: < `T–Ü ÀöS–Ü > 20 60 54 96 DC 01 00 00 C0 F6 53 96 DC 01 00 00
{94} normal block at 0x000001DC9653FF00, 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 0x000001DC9653D4F0, 16 bytes long.
Data: <ð S–Ü > F0 11 53 96 DC 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001DC965311F0, 40 bytes long.
Data: <ðÔS–Ü ÿS–Ü > F0 D4 53 96 DC 01 00 00 00 FF 53 96 DC 01 00 00
{71} normal block at 0x000001DC9653D270, 16 bytes long.
Data: < ê ö > 80 EA 06 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DC9653DAE0, 16 bytes long.
Data: <@é ö > 40 E9 06 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DC9653DD10, 16 bytes long.
Data: <øW ö > F8 57 03 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DC9653DEA0, 16 bytes long.
Data: <ØW ö > D8 57 03 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DC9653CF50, 16 bytes long.
Data: <P ö > 50 04 03 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DC9653D1D0, 16 bytes long.
Data: <0 ö > 30 04 03 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DC9653D680, 16 bytes long.
Data: <à ö > E0 02 03 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DC9653D090, 16 bytes long.
Data: < ö > 10 04 03 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DC9653D220, 16 bytes long.
Data: <p ö > 70 04 03 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DC9653D720, 16 bytes long.
Data: < À ö > 18 C0 01 0F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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