Hi. Recently I am using mpimmaps for the calculation of a five-component system. Compared with mmaps, it is much better since mmaps becomes very slow after generating 120 structures in my case. However, it was found that during the running of a single job mpimmaps repeatedly generated the 0 structure and did the calculation again after generating some new structures. This also happens when the calculation is restarted. Is there anyway to avoid this problem? Thank you.
The above problem has been solved by changing the compiler option. Previously I set MPICXX=mpicxx -qopenmp. Now it is changed as MPICXX=mpicxx -DATAT_MPI.
Thanks for posting the solution!