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ELPA

A publicly available library that provides highly efficient and highly scalable direct eigensolvers for symmetric (hermitian) matrices.

Homepage Version(s): 2021.11.001

ELPA requires an environment module

In order to use ELPA, you must first load the appropriate environment module: 

module load gnu openmpi

Supported Compilers and Modules#

To compile and use ELPA on the RCC HPC systems, load one of the following compiler and MPI module combinations:

  • Intel Compilers

    • module load intel openmpi
    • module load intel mvapich/2.3.5

  • GNU Compilers

    • module load gnu openmpi
    • module load gnu mvapich/2.3.5

Example: Running an ELPA Test Program#

Get the Code#

Download the example file with the following command:

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wget https://docs.rcc.fsu.edu/software/elpa/test_real_example.f90

This is a simple example program that demonstrates how to use the ELPA library.

Load Modules#

Load one of the module combinations listed above. For example: 

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module load gnu openmpi

Compile#

Compile the Fortran example using: 

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mpifort test_real_example.f90 -o test_real_example.x -lelpa -lscalapack

Create Submit Script#

Save the following SLURM batch script to submit_elpa.sh:

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#!/bin/bash
#SBATCH -A TestELPA
#SBATCH -n 12
#SBATCH -A backfill
#SBATCH -t 00:10:00

ml purge
ml gnu openmpi  # Or whichever module set you used to compile

srun test_real_example.x

Submit the job using: 

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sbatch submit_elpa.sh

Expected Output#

Check the resulting slurm.out file. A successful run will include the following:

  • Past BLACS_Gridinfo.
  • Past scalapack descriptor setup.
  • Random matrix block has been set up. (only processor 0 confirms this step)
  • Entering one-step ELPA solver ...
  • One-step ELPA solver complete.