Error message

  • Deprecated function: Constant PDO::MYSQL_ATTR_USE_BUFFERED_QUERY is deprecated since 8.5, use Pdo\Mysql::ATTR_USE_BUFFERED_QUERY instead in DatabaseConnection_mysql->__construct() (line 332 of /var/www/html/includes/database/mysql/database.inc).
  • Deprecated function: Constant PDO::MYSQL_ATTR_MULTI_STATEMENTS is deprecated since 8.5, use Pdo\Mysql::ATTR_MULTI_STATEMENTS instead in DatabaseConnection_mysql->__construct() (line 339 of /var/www/html/includes/database/mysql/database.inc).

January 2019

HPC job script example

#/bin/bash
#BSUB -n 12 # Number of cores you are requesting
#BSUB -R "span[ptile=12]" # An option to group together cores per node
#BSUB -W 240:00 # Wall time
#BSUB -q medium_priority # Queue partition
#BSUB -e error.%J.dat # Name of error file
#BSUB -o output.%J.dat # Name of screen out file

touch FODSCFONLY
/shared/mpi/bin/mpirun -np 12 ./nrlmol_exe > print.1