Task 38583629
| Name | PFKFB3_A06_A09_r0_2-QUICO_ATM_GAFF2_LOMAP_PFKFB3-2-5-RND4206_0 |
| Workunit | 31547716 |
| Created | 14 Dec 2025, 11:09:33 UTC |
| Sent | 14 Dec 2025, 11:09:38 UTC |
| Report deadline | 19 Dec 2025, 11:09:38 UTC |
| Received | 14 Dec 2025, 23:14:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 615763 |
| Run time | 10 hours 40 min 29 sec |
| CPU time | 10 hours 40 min 29 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 36,254.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 776.38 MB |
| Peak swap size | 7.13 GB |
| Peak disk usage | 3.70 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
03:24:28 (3984): wrapper (7.9.26016): starting
03:24:28 (3984): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A09_0.pdb
QB_A06_A09_0.xml
QB_A06_A09_equil.pdb
QB_A06_A09.inpcrd
QB_A06_A09_input.yaml
QB_A06_A09_mdlambda.pdb
QB_A06_A09_min.pdb
QB_A06_A09_npt.pdb
QB_A06_A09.pdb
QB_A06_A09.prmtop
QB_A06_A09_sys.xml
QB_A06_A09_therm.pdb
run.bat
run.sh
03:24:31 (3984): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:24:31 (3984): 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
15:10:59 (3984): C:/Windows/system32/cmd.exe exited; CPU time 38429.578125
15:10:59 (3984): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 566715637 bytes.
Dumping objects ->
{3835333} normal block at 0x00000254E176C5E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835322} normal block at 0x00000254DFB34710, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835311} normal block at 0x00000254DFB346A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835300} normal block at 0x00000254DFB344E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835289} normal block at 0x00000254DFB34470, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835258} normal block at 0x00000254E17B7EF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x00000254E17632B0, 235 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) : {3835244} normal block at 0x00000254DFB2D2C0, 8 bytes long.
Data: < ößT > 00 00 F6 DF 54 02 00 00
{3834596} normal block at 0x00000254E1763640, 235 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 0x00000254DFB2D5E0, 8 bytes long.
Data: < Õ±ßT > 90 D5 B1 DF 54 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000254DFB218D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000254DFB21D60, 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 0x00000254DFB35800, 16 bytes long.
Data: <8a³ßT > 38 61 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000254DFB35030, 16 bytes long.
Data: < a³ßT > 10 61 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000254DFB30860, 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 0x00000254DFB35300, 16 bytes long.
Data: <è`³ßT > E8 60 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000254DFB35710, 16 bytes long.
Data: <À`³ßT > C0 60 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000254DFB34F90, 16 bytes long.
Data: < `³ßT > 98 60 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000254DFB34EA0, 16 bytes long.
Data: <p`³ßT > 70 60 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000254DFB34780, 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 0x00000254DFB35B70, 16 bytes long.
Data: <H³±ßT > 48 B3 B1 DF 54 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000254DFB30CE0, 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 0x00000254DFB34E50, 16 bytes long.
Data: < ³±ßT > 20 B3 B1 DF 54 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000254DFB35B20, 16 bytes long.
Data: <ø²±ßT > F8 B2 B1 DF 54 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000254DFB35CB0, 16 bytes long.
Data: <в±ßT > D0 B2 B1 DF 54 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000254DFB35C60, 16 bytes long.
Data: <¨²±ßT > A8 B2 B1 DF 54 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000254DFB357B0, 16 bytes long.
Data: < ²±ßT > 80 B2 B1 DF 54 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000254DFB35670, 16 bytes long.
Data: <X²±ßT > 58 B2 B1 DF 54 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000254DFB30F80, 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 0x00000254DFB35A80, 16 bytes long.
Data: <0²±ßT > 30 B2 B1 DF 54 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000254DFB1B230, 320 bytes long.
Data: < Z³ßT ³ßT > 80 5A B3 DF 54 02 00 00 80 0F B3 DF 54 02 00 00
{275} normal block at 0x00000254DFB359E0, 16 bytes long.
Data: <P`³ßT > 50 60 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000254DFB352B0, 16 bytes long.
Data: <(`³ßT > 28 60 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000254DFB307A0, 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 0x00000254DFB350D0, 16 bytes long.
Data: < `³ßT > 00 60 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000254DFB30800, 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 0x00000254DFB35DA0, 16 bytes long.
Data: <H_³ßT > 48 5F B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000254DFB35AD0, 16 bytes long.
Data: < _³ßT > 20 5F B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000254DFB35350, 16 bytes long.
Data: <ø^³ßT > F8 5E B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000254DFB35940, 16 bytes long.
Data: <Ð^³ßT > D0 5E B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000254DFB35D50, 16 bytes long.
Data: <¨^³ßT > A8 5E B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000254DFB355D0, 16 bytes long.
Data: < ^³ßT > 80 5E B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000254DFB35530, 16 bytes long.
Data: <ÐH³ßT > D0 48 B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000254DFB348D0, 40 bytes long.
Data: <0U³ßT ð~{áT > 30 55 B3 DF 54 02 00 00 F0 7E 7B E1 54 02 00 00
{261} normal block at 0x00000254DFB35760, 16 bytes long.
Data: <`^³ßT > 60 5E B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000254DFB34F40, 16 bytes long.
Data: <8^³ßT > 38 5E B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000254DFB30E00, 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 0x00000254DFB35C10, 16 bytes long.
Data: < ^³ßT > 10 5E B3 DF 54 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000254DFB35E10, 992 bytes long.
Data: < \³ßT ³ßT > 10 5C B3 DF 54 02 00 00 00 0E B3 DF 54 02 00 00
{93} normal block at 0x00000254DFB30A40, 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 0x00000254DFB2D090, 16 bytes long.
Data: <ðð±ßT > F0 F0 B1 DF 54 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000254DFB1F0F0, 40 bytes long.
Data: < вßT @ ³ßT > 90 D0 B2 DF 54 02 00 00 40 0A B3 DF 54 02 00 00
{70} normal block at 0x00000254DFB2D6D0, 16 bytes long.
Data: < êM$ö > 80 EA 4D 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000254DFB2CEB0, 16 bytes long.
Data: <@éM$ö > 40 E9 4D 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000254DFB2CE60, 16 bytes long.
Data: <øWJ$ö > F8 57 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000254DFB2D040, 16 bytes long.
Data: <ØWJ$ö > D8 57 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000254DFB2D590, 16 bytes long.
Data: <P J$ö > 50 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000254DFB2D720, 16 bytes long.
Data: <0 J$ö > 30 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000254DFB2CDC0, 16 bytes long.
Data: <à J$ö > E0 02 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000254DFB2D220, 16 bytes long.
Data: < J$ö > 10 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000254DFB2D4A0, 16 bytes long.
Data: <p J$ö > 70 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000254DFB2CAF0, 16 bytes long.
Data: < ÀH$ö > 18 C0 48 24 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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