[Pw_forum] parallel version

ehsan targholi targholi at gmail.com
Sun Dec 8 20:34:33 CET 2013


hi
Dear all
i have problem with run quantum espresso in parallel state. i install both
openmpi and mpich2. quantum espresso work correctly without parallel.
(pw.x) but when i insert  ' mpirun -np 8 pw.x' dose not work correctly and
give this error in terminal:

 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping

and 7 core of 8 core of cpu killing job and pw.x work with only one core to
end, sometime with same input give this error in terminal:

 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping
 from test_input_xml: Empty input file .. stopping

and work pw.x with 4 core of cpu.
pleas help me to install and run quantum espresso in parallel state.


best regard
Ehsan Targholi
graduate student of chemistry department of iust
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