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qe [2020/03/06 23:05] – rootqe [2025/10/15 19:51] (current) – external edit 127.0.0.1
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 <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  \
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 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>
 Run,System, OMP, MPI, npools, walltime Run,System, OMP, MPI, npools, walltime
Line 36: Line 37:
 4,razor, 1, 16, 2, did not run 4,razor, 1, 16, 2, did not run
 5,razor, 2, 8, 1, 1073 5,razor, 2, 8, 1, 1073
-6,razor qe 6.1,1,16,1,xxx+6,razor qe 6.1,1,16,1,1612
 </csv> </csv>
  
  
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