User Tools

Site Tools


qe

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
qe [2020/03/06 22:49]
root
qe [2020/03/06 23:22] (current)
root
Line 4: Line 4:
  
 <code> <code>
-module load intel/19.0.5 impi/19.0.5 mkl/19.05+module load intel/19.0.5 impi/19.0.5 mkl/19.0.5
 $ ./install/configure  \ $ ./install/configure  \
 MPIF90=mpiifort F90=ifort F77=ifort FC=ifort CC=icc  \ MPIF90=mpiifort F90=ifort F77=ifort FC=ifort CC=icc  \
Line 20: Line 20:
 make all make all
 </code> </code>
-Using the AUSURF112 benchmark, running on single nodes of trestles and razor:+Using the AUSURF112 benchmark, running on single nodes of trestles and razor, and last a comparison run with qe 6.1:
 <code> <code>
 OMP_NUM_THREADS=1 mpirun -np 32 /scrfs/apps/espresso/espresso-6.5-intel-mkl-impi/bin/pw.x -npools 1 <ausurf.in OMP_NUM_THREADS=1 mpirun -np 32 /scrfs/apps/espresso/espresso-6.5-intel-mkl-impi/bin/pw.x -npools 1 <ausurf.in
Line 27: Line 27:
 OMP_NUM_THREADS=1 mpirun -np 16 /scrfs/apps/espresso/espresso-6.5-intel-mkl-impi/bin/pw.x -npools 2 <ausurf.in OMP_NUM_THREADS=1 mpirun -np 16 /scrfs/apps/espresso/espresso-6.5-intel-mkl-impi/bin/pw.x -npools 2 <ausurf.in
 OMP_NUM_THREADS=2 mpirun -np  8 /scrfs/apps/espresso/espresso-6.5-intel-mkl-impi/bin/pw.x -npools 1 <ausurf.in OMP_NUM_THREADS=2 mpirun -np  8 /scrfs/apps/espresso/espresso-6.5-intel-mkl-impi/bin/pw.x -npools 1 <ausurf.in
 +mpirun -np 16 /share/apps/espresso/qe-6.1-intel-mkl-impi/bin/pw.x -npools 1 <ausurf.in
 </code> </code>
-with results+with results showing 6.5 much improved over 6.1.
 <csv> <csv>
-System, OMP, MPI, npools, walltime +Run,System, OMP, MPI, npools, walltime 
-trestles, 1, 32, 1, 867 +1,trestles, 1, 32, 1, 867 
-trestles, 1, 32, 2, 837 +2,trestles, 1, 32, 2, 837 
-reazor, 1, 16, 1, 690 +3,razor, 1, 16, 1, 690 
-razor, 1, 16, 2, did not run +4,razor, 1, 16, 2, did not run 
-razor, 2, 8, 1, 1073+5,razor, 2, 8, 1, 1073 
 +6,razor qe 6.1,1,16,1,1612
 </csv> </csv>
  
  
qe.1583534951.txt.gz · Last modified: 2020/03/06 22:49 by root