not converge in parallel compiled by ifort

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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matador

not converge in parallel compiled by ifort

#1 Post by matador » 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.
Last edited by matador on Fri Nov 02, 2007 2:06 pm, edited 1 time in total.

matador

not converge in parallel compiled by ifort

#2 Post by matador » Thu Nov 08, 2007 5:15 pm

I found the problem is caused by -xT option in intel compiler. when I only use -O3, it works.
Last edited by matador on Thu Nov 08, 2007 5:15 pm, edited 1 time in total.

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