Task 38582497
| Name | PFKFB3_A07_A32_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND5391_0 |
| Workunit | 31546804 |
| Created | 13 Dec 2025, 6:11:17 UTC |
| Sent | 13 Dec 2025, 6:11:28 UTC |
| Report deadline | 18 Dec 2025, 6:11:28 UTC |
| Received | 13 Dec 2025, 15:05:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 7 hours 12 min 46 sec |
| CPU time | 6 hours 45 min 55 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 83,073.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 812.30 MB |
| Peak swap size | 13.30 GB |
| Peak disk usage | 4.31 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:51:07 (29968): wrapper (7.9.26016): starting
23:51:07 (29968): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A32_0.pdb
QB_A07_A32_0.xml
QB_A07_A32_equil.pdb
QB_A07_A32.inpcrd
QB_A07_A32_input.yaml
QB_A07_A32_mdlambda.pdb
QB_A07_A32_min.pdb
QB_A07_A32_npt.pdb
QB_A07_A32.pdb
QB_A07_A32.prmtop
QB_A07_A32_sys.xml
QB_A07_A32_therm.pdb
run.bat
run.sh
23:51:09 (29968): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:51:09 (29968): 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
07:04:04 (29968): C:/Windows/system32/cmd.exe exited; CPU time 24355.343750
07:04:04 (29968): 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: 430039809 bytes.
Dumping objects ->
{3835312} normal block at 0x0000025493DDC6C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835301} normal block at 0x0000025493DDC810, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835290} normal block at 0x0000025493DDC3B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835279} normal block at 0x0000025491FA4DD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835268} normal block at 0x0000025491FA4D60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835237} normal block at 0x0000025493E28F70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x0000025493E3EC00, 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) : {3835223} normal block at 0x0000025491F9D5C0, 8 bytes long.
Data: < e’T > 00 00 65 92 54 02 00 00
{3834575} normal block at 0x0000025493E3E520, 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 0x0000025491F9D520, 8 bytes long.
Data: < Öø‘T > 00 D6 F8 91 54 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025491F90EF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025491F92080, 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 0x0000025491FA5480, 16 bytes long.
Data: < gú‘T > 18 67 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025491FA5B60, 16 bytes long.
Data: <ðfú‘T > F0 66 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025491FA1680, 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 0x0000025491FA5CF0, 16 bytes long.
Data: <Èfú‘T > C8 66 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025491FA6060, 16 bytes long.
Data: < fú‘T > A0 66 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025491FA59D0, 16 bytes long.
Data: <xfú‘T > 78 66 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025491FA5F70, 16 bytes long.
Data: <Pfú‘T > 50 66 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025491FA4A50, 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 0x0000025491FA5C50, 16 bytes long.
Data: <8 ù‘T > 38 06 F9 91 54 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025491FA1320, 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 0x0000025491FA5980, 16 bytes long.
Data: < ù‘T > 10 06 F9 91 54 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025491FA5430, 16 bytes long.
Data: <è ù‘T > E8 05 F9 91 54 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025491FA6290, 16 bytes long.
Data: <À ù‘T > C0 05 F9 91 54 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025491FA5ED0, 16 bytes long.
Data: < ù‘T > 98 05 F9 91 54 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025491FA5930, 16 bytes long.
Data: <p ù‘T > 70 05 F9 91 54 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025491FA5FC0, 16 bytes long.
Data: <H ù‘T > 48 05 F9 91 54 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025491FA0D80, 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 0x0000025491FA61F0, 16 bytes long.
Data: < ù‘T > 20 05 F9 91 54 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025491F90520, 320 bytes long.
Data: <ðaú‘T ú‘T > F0 61 FA 91 54 02 00 00 80 0D FA 91 54 02 00 00
{276} normal block at 0x0000025491FA6010, 16 bytes long.
Data: <0fú‘T > 30 66 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025491FA58E0, 16 bytes long.
Data: < fú‘T > 08 66 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025491FA1620, 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 0x0000025491FA6100, 16 bytes long.
Data: <àeú‘T > E0 65 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025491FA15C0, 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 0x0000025491FA5890, 16 bytes long.
Data: <(eú‘T > 28 65 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025491FA5840, 16 bytes long.
Data: < eú‘T > 00 65 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025491FA6240, 16 bytes long.
Data: <Ødú‘T > D8 64 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025491FA57F0, 16 bytes long.
Data: <°dú‘T > B0 64 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025491FA5700, 16 bytes long.
Data: < dú‘T > 88 64 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025491FA5C00, 16 bytes long.
Data: <`dú‘T > 60 64 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025491FA5610, 16 bytes long.
Data: <0Kú‘T > 30 4B FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025491FA4B30, 40 bytes long.
Data: < Vú‘T p â“T > 10 56 FA 91 54 02 00 00 70 8F E2 93 54 02 00 00
{262} normal block at 0x0000025491FA5DE0, 16 bytes long.
Data: <@dú‘T > 40 64 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025491FA5A70, 16 bytes long.
Data: < dú‘T > 18 64 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025491FA0A20, 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 0x0000025491FA5AC0, 16 bytes long.
Data: <ðcú‘T > F0 63 FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025491FA63F0, 992 bytes long.
Data: <ÀZú‘T ú‘T > C0 5A FA 91 54 02 00 00 20 0A FA 91 54 02 00 00
{94} normal block at 0x0000025491FA1560, 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 0x0000025491F9DB10, 16 bytes long.
Data: <°Nú‘T > B0 4E FA 91 54 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000025491FA4EB0, 40 bytes long.
Data: < Ûù‘T ` ú‘T > 10 DB F9 91 54 02 00 00 60 15 FA 91 54 02 00 00
{71} normal block at 0x0000025491F9D4D0, 16 bytes long.
Data: < êãÝ÷ > 80 EA E3 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025491F9DA70, 16 bytes long.
Data: <@éãÝ÷ > 40 E9 E3 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025491F9D250, 16 bytes long.
Data: <øWàÝ÷ > F8 57 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025491F9D200, 16 bytes long.
Data: <ØWàÝ÷ > D8 57 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025491F9D020, 16 bytes long.
Data: <P àÝ÷ > 50 04 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025491F9D3E0, 16 bytes long.
Data: <0 àÝ÷ > 30 04 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025491F9D930, 16 bytes long.
Data: <à àÝ÷ > E0 02 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025491F9DD40, 16 bytes long.
Data: < àÝ÷ > 10 04 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025491F9D0C0, 16 bytes long.
Data: <p àÝ÷ > 70 04 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025491F9CFD0, 16 bytes long.
Data: < ÀÞÝ÷ > 18 C0 DE DD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra