PGI compilers

The default Fortran and C/C++ compilers in Knot are set to be the Intel ones. If your code requires compilers from Portland Group (PGI), you need to modify your startup script.

For example, in .bashrc the following lines are needed:

export PATH=/sw/pgi/linux86-64/current/bin/:/sw/pgi/linux86-64/current/mpi/mpich/bin/:$PATH

export LD_LIBRARY_PATH=/sw/pgi/linux86-64/current/lib:/sw/pgi/linux86-64/current/mpi/mpich/lib:$LD_LIBRARY_PATH

Make sure to remove the PATH and LD_LIBRARY_PATH declarations that point to openmpi and Intel libraries (the compilervars.sh and mklvars.sh scripts should not be executed at startup).

After compiling your code (e.g. say run.x is created as the executable), use a script to submit your job. For example,

#!/bin/bash
#PBS -l nodes=2:ppn=12
#PBS -l walltime=2:00:00
#PBS -V

cd $PBS_O_WORKDIR

mpirun  -np 24 ./run.x