Re: [Pw_forum] QE installation with OpenMPI

2017-01-25 Thread Aldo Ugolotti
Actually this combination (OMPI 2.0.1 + QE 6.0) seems to be working fine. I will also cross-check it by trying a longer simulation. I will also try QE-5.4.0 with an older version of OMPI. As for now, thank you all for your support. Regards, Aldo Il 25/01/2017 16:17, Filippo SPIGA ha scritto:

Re: [Pw_forum] QE installation with OpenMPI

2017-01-25 Thread Filippo SPIGA
Out of cusiosity, have you tried QE 6.0? On Jan 25, 2017, at 7:00 AM, Aldo Ugolotti wrote: >> and have you set your PATH and LD_LIBRARY_PATH correctly after installing >> Open MPI? > Yes, I have. PATH and LD_LIBRARY_PATH are including openMPI installation > folder.

Re: [Pw_forum] QE installation with OpenMPI

2017-01-25 Thread Aldo Ugolotti
> and have you set your PATH and LD_LIBRARY_PATH correctly after installing > Open MPI? Yes, I have. PATH and LD_LIBRARY_PATH are including openMPI installation folder. > > Please send us the "install.config.log" file, this will hel understanding > what it is going on ... > > The log files can

Re: [Pw_forum] QE installation with OpenMPI

2017-01-25 Thread Filippo SPIGA
On Jan 25, 2017, at 2:10 AM, Aldo Ugolotti wrote: > I have tried it and unluckily it is not effective. I am still able to run a > parallel calculation within the same node, but if I ask to start the tasks on > a different node, the mpirun command remains stuck. and

Re: [Pw_forum] QE installation with OpenMPI

2017-01-25 Thread Aldo Ugolotti
/If you do not have Intel compilers installed, just run "./configure --enable-parallel" without specify MPIF90, FC or CC. /I have tried it and unluckily it is not effective. I am still able to run a parallel calculation within the same node, but if I ask to start the tasks on a different node,

Re: [Pw_forum] QE installation with OpenMPI

2017-01-24 Thread Filippo SPIGA
On Jan 24, 2017, at 9:51 AM, Aldo Ugolotti wrote: > I am not relying on Intel compiler, I only have gfortran for now, but I just > changed the flags accordingly like FC=gfortran CC=gcc, but I still have > issues. If you do not have Intel compilers installed, just

Re: [Pw_forum] QE installation with OpenMPI

2017-01-24 Thread Aldo Ugolotti
Dear Paolo and Amer, the parallelization environment is (correctly?) detected by the configuration script. I am not relying on Intel compiler, I only have gfortran for now, but I just changed the flags accordingly like FC=gfortran CC=gcc, but I still have issues. Regards, -- Aldo Ugolotti

Re: [Pw_forum] QE installation with OpenMPI

2017-01-24 Thread Amer Hamzaoui
Dear Aldo Try this ./configure  --enable-parallel MPIF90=mpiifort --with-scalapack=intel -- Amer HAMZAOUI Departement of physics UFAS1 - ALGERIA -- Le Mardi 24 janvier 2017 17h28, Aldo Ugolotti

Re: [Pw_forum] QE installation with OpenMPI

2017-01-24 Thread Paolo Giannozzi
On Tue, Jan 24, 2017 at 5:25 PM, Aldo Ugolotti wrote: > ./configure FC=mpifort F77=mpifort CC=mpicc try "./configure MPIF90=mpiifort FC=ifort CC=icc" Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208,

[Pw_forum] QE installation with OpenMPI

2017-01-24 Thread Aldo Ugolotti
Dear QE users, I am trying to install QE on a parallel machine; I have already compiled the OpenMPI(v 2.0.1) library and tested it with some simple codes without problems. When I compile QE by this command: ./configure FC=mpifort F77=mpifort CC=mpicc I get this warning message: checking