Hi,
We just migrated from XE 2013 to XE 2016 update2. We use the compier suite and the MPI library to build the MPI enviroment for ab initio software such as PWscf(Quantum ESPRESSO) and OpenMX.
Before we migrate to the new compiler environment, the old compiler environment varibles have been cleaned up. We set mpiifort as the compiler and linker, and the complition complete normally.
On one of our workstations, the serial run appears to be okay, but the MPI runs appears to be very wired and the MPI parralleling appears to be not working properly.
For example, we can run properly with "mpirun -np 1 pw.x < pw.in"; however, if we use the command "mpirun -np 2 pw.x < pw.in", the program pw.x will respond as if it didn't see the input, and still wait for input from standard input, meanwhile the code itself told that it knew it was parallel running "Paralle version (MPI), running on 2 processors". If we increase the number of threads on the same workstation(4 physical cores), "mpirun -np 8 pw.x < pw.in", now the code will read input from file pw.in, and does not wait for standard input, but the speed of the run will be extremely slow, appear as if not running at all.
The problem is not from PWscf, because we found the same problem for OpenMX, the compilation is okay, and the serial version is running properly, just not the MPI version. All the codes run at a extreme slow speed that after the codes output something, the stdout will pause to output anything.