Re: [gmx-users] template parallelization

2013-03-14 Thread Erik Marklund
Do you really mean compile time? If so, issue make -j X (where x is the number of jobs used for building). If you mean runtime then the easiest thing is to split your trajectory in parts and run the processes in parallel, then patch the results together. That's if the calculations can be do

[gmx-users] template parallelization

2013-03-14 Thread subhadipdas
First, here my system : Cent Os 64 bits gcc : 4.4.6 fftw : 3.3.2 including SSE 2 I am writing a code to find out the number of five and six membered rings in structure I of hydrate . My code takes long time to compile for my 500ps trajectory . So my query is that can the template file be made to r