Changes

HPC VASP

50 bytes added, 19:06, 7 August 2015
The following lines need to be added to you .bashrc file for the new cluster.
 
source /snufs/intel/composer_xe_2015.2.164/bin/compilervars.sh intel64
'''Job Submission script'''
 
Example can be copied from /snufs/apps/vasp/5.3.5/intelmpi/submit.lsf.example
PPN=16 ( Processor tasks per node )
MYDIR=$(pwd)
EXE=/snufs/apps/vasp/5.3.5/intelmpi/vasp.hw ( Executable path choose as per the processor architecture) <br /><br /># Do not Change anything below this line
export I_MPI_DAPL_PROVIDER=ofa-v2-mlx4_0-1
export I_MPI_FABRICS=shm:dapl
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