I am trying to dock a small molecule with holo dimer protein (153 aa, 1 Cu and 1 Zn per chain). I followed the Ligand Docking Tutorial and it all works fine until I try to generate more than ~50 output structures. Using both MPI and default builds, all 8 GB of RAM and 5 GB of Swap are slowly filled up until my linux system kills the program. Below I have listed different commands and how many strucures it generated before swamping memory. The basic options file and xml file is attached is attached.
-linmem_ig 10 produces 41 output structures
-qsar:grid_dir produces 27 output structures
-jd2:delete_old_poses produces 23 output structures
I am running a Linux Mint v 18.2 on an 8 core processor with 8 GB of RAM. I am using the 2017 week 29 release.
Any help is appreciated.