Hello all, I have a question about running QE in parallel.
I installed LAM/MPI and then compiled QE with the parallel default options. Then I started running the examples. In the output of example 03, I get the following: *************************** ?Program PWSCF???? v.4.1??? starts ... ???? Today is 28Aug2009 at 11:30:28 ???? Parallel version (MPI) ???? Number of processors in use:?????? 1 ???? For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or PAW ???? Current dimensions of program pwscf are: ???? Max number of different atomic species (ntypx) = 10 ???? Max number of k-points (npk) =? 40000 ???? Max angular momentum in pseudopotentials (lmaxx) =? 3 ???? Waiting for input... ???? file O.pz-rrkjus.UPF: wavefunction(s)? 2S renormalized ???? file C.pz-rrkjus.UPF: wavefunction(s)? 2S renormalized ???? gamma-point specific algorithms are used ???? Subspace diagonalization in iterative solution of the eigenvalue problem: ???? Too few procs for parallel algorithm ?????? we need at least 4 procs per pool ???? a serial algorithm will be used .................. *************************** So as you can see, pw.x is running in serial mode. How do I solve this issue? My system: Processor:?AMD Phenom(tm) II X4 940 @ 3GHz (Deneb) Memory: 8GB RAM Lam version (from laminfo): 7.1.4 OS: Ubuntu 9.04 64bits (up-to-date) Environment variables: export TOPDIR='/software/espresso-4.1' export BIN_DIR=$TOPDIR/bin export PSEUDO_DIR=$TOPDIR/pseudo export TMP_DIR=/scratch export PARA_PREFIX="mpiexec -n 4" export PARA_POSTFIX="-npool 1" PWgui="/software/PWgui-4.1" Regards, Camps
