Rudra Banerjee wrote: > how can i compile parallel version of the executable?i have mpich2 > installed Hi, you should first make sure that mpich executables (mpif77,mpif90) are in you PATH.
Usually, just running ./configure should be enough to detect a parallel environment and let the configure script to setup compilation for the parallel version. The configure script generates a make.sys file, that should contain the -D__MPI -D__PARA flags . In the case for some reason the mpi stuff is not detected a message like "Parallel environment not detected" should be output by the configure script. There are cases in which this may happen, as some previous messages in the archive show, see for example http://www.democritos.it/pipermail/pw_forum/2006-September/004973.html http://www.democritos.it/pipermail/pw_forum/2006-September/004974.html http://www.democritos.it/pipermail/pw_forum/2004-October/001507.html You may also want to browse the "Installation" section of the Quantum-ESPRESSO Wiki: http://www.quantum-espresso.org/wiki/index.php/Installation If something goes wrong, try first to compile a sample program using the mpif90 Giovanni -- Dr. Giovanni Cantele Coherentia CNR-INFM and Dipartimento di Scienze Fisiche Universita' di Napoli "Federico II" Complesso Universitario di Monte S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy Phone: +39 081 676910 Fax: +39 081 676346 E-mail: Giovanni.Cantele at na.infn.it Web: http://people.na.infn.it/~cantele
