I am running some Molecular mechanics problems where I apply some
forces to the specimen in many small steps. Then, I run the minimize
command to get the stable positions of atoms. I use the CG method. The
problem is that the CG method seems to very slow. I tried to lower the
convergence tolerance and this leads to meaningless simulations. I
also tried to use another method of energy minimization such as
quickmin which does not give me results either. Please advice me how
I can make the minimization process to run faster.
The brief overview of the model:
For a solid brittle material.
Computer Specifications: 24 Cores (4 nodes, AMD opteron) with 32GB
memory per Node.