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vasp [2025/10/15 19:51] – external edit 127.0.0.1vasp [2026/08/07 18:16] (current) – pwolinsk
Line 29: Line 29:
 installs$ installs$
 </code> </code>
 +
 ''getshmem.o'' and ''linpack_double.o'' are made in build/lib, and modules and ''makefile.include'' are: ''getshmem.o'' and ''linpack_double.o'' are made in build/lib, and modules and ''makefile.include'' are:
 +
 <code> <code>
 installs$ module load intel/19.0.5 mkl/19.0.5 impi/19.0.5 installs$ module load intel/19.0.5 mkl/19.0.5 impi/19.0.5
Line 115: Line 117:
 MPI_INC    = $(I_MPI_ROOT)/intel64/include/ MPI_INC    = $(I_MPI_ROOT)/intel64/include/
 installs$  installs$ 
 +
 </code> </code>
 +
 Some run examples with an OpenMP, MKL sequential build: Some run examples with an OpenMP, MKL sequential build:
 +
 <code> <code>
 module load intel/19.0.5 mkl/19.0.5 impi/19.0.5 module load intel/19.0.5 mkl/19.0.5 impi/19.0.5
Line 123: Line 128:
 vasp.o2.smkl took 26.1 seconds on Pinnacle. vasp.o2.smkl took 26.1 seconds on Pinnacle.
 </code> </code>
 +
 **For performance MPI threads x OpenMP threads should not exceed physical cores. **For performance MPI threads x OpenMP threads should not exceed physical cores.
  
  
  
vasp.1760557911.txt.gz · Last modified: by 127.0.0.1