On Tue, November 11, 2008 14:18, Ilyas Yildirim wrote:
> While the subject has minimization in it, I have a quick question: Is it
> possible to use more than 2 CPUs in Thermodynamic Integration
> minimization? I could never use 4 CPUs when I wanted to do minimization
> with icfe set to either 1 or 2. Everything works fine with 2 CPUs, but not
> with 4 CPUs in the minimization process. I use mpich2 and amber9.
Could you provide more details on what happens with > 2 cpus?
An easily runnable test-case that shows the problem would also be
very helpful.
Have a great day,
Volodymyr
Received on Fri Dec 05 2008 - 14:29:06 PST
