Nay Lin ha scritto: > Dear users, > > i compiled mpi version pwscf 4.1.2 on quad core. with ubuntu linux > ./pw.x shows "Parallel Version (MPI)". > In make.sys, DFLAGS contains -D__MPI and -D_PARA. > I have mpirun installed. > > may i know what is the complete mpirun command to initiate the > calculation. > when i run > mpirun -np 2 ../../bin/pw.x<si.scf.in <http://si.scf.in>>si.scf.out > i get error such as > It seems that [at least] one of the processes that was started with > mpirun did not invoke MPI_INIT before quitting (it is possible that > more than one process did not invoke MPI_INIT -- mpirun was only > notified of the first one, which was on node n0). >
This looks like a problem in running/compiling with mpi (open mpi?). Try first to compile a simple mpi program and run it with the mpirun command. Does it works? Carlo -- ------------------------------------------------------ Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8 Fax: +39 011 6707855 - Dipartimento di Chimica IFM via P. Giuria 7, 10125 Torino, Italy http://lem.ch.unito.it/