not converge in parallel compiled by ifort
Posted: Fri Nov 02, 2007 2:06 pm
I try to compile vasp on Xeon and Opteron machine(multi-core 64bit) with mpich or openmpi. The serial version works well. But for parallel version it gives wrong result and does not converge at all. Is there any compatibility problem here? I have tried both 32bit and 64bit intel fortran.