In data 23 settembre 2009 alle ore 14:12:53, wangqj1 <wangqj1 at 126.com> ha scritto: >> /home/wang/bin/pw.x -npool 8 -in ZnO.pw.inp>ZnO.pw.out > It only print the output heander and not have iteration .
Maybe it's not reading the input at all! You should specify the full path to you input file, e.g. mpirun ... bin/pw.x -in /where/is/is/ZnO.pw.inp just to be sure. > I am not the supperuser,I don't know how to Set the environment variable > OPEN_MP_THREADS to 1,I can't find where is OPEN_MP_THREADS ? You don't need to be super-user (nor supper-user ;-) to set an environment variable, you only have to add export OMP_NUM_THREADS=1 in your PBS script, before calling mpirun. To be sure it's propagated to all the processors add the option -x OMP_NUM_THREAD to mpirun arguments (BEFORE pw.x). cheers P.S. when answering to a daily digest, please remove the irrelevant parts, and set the discussion title to whatever it was before; this make it easier for other people to follow the discussion! -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/