Quantum espresso -5.0.2 parallel exe -- some notes on parallel installation

if you got massage like

from test_input_xml: Empty input file

the reason may is your pw.x is installed to run in series not parallel.

to check whether your pw.x exe is series or parallel, one simple way is to check the xx.scf.out file, at the first few lines

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solution:

step 1) install those libmpich.... like patch from your software centre, then restart

step 2) create the mpi lib path to etc/ld.so.conf.d

ie. http://www.cyberciti.biz/faq/linux-setting-changing-library-path/

for my case; I added user/lib/openmpi/lib; use/lib/openmpi/lib/openmpi

step 3) recompile the QE

       ./configure clean

       ./configure F90=gfortran (may trouble using ifort with mpi)

       ./make all