[Pw_forum] Compilation of espresso-4.0.4

O. Baris Malcioglu baris.malcioglu at gmail.com
Fri Mar 27 18:11:49 CET 2009

Hi Amos,

On Fri, Mar 27, 2009 at 5:21 PM, Amos Leffler <amosleffler at gmail.com> wrote:
> Hi Forum,
>              I have been trying to compile espresso-4.0.4 using
> LAM/MPI-7.1.4.   The latter was correctly installed as noted by the
> program itself.

Please notice that this might or might not be true, trusting the
installation script message in this matter is like asking someone if
he/she is a liar or not. The answer is hardly useful.

> I was able to configure the espresso program in
> parallel mode as noted by the output of the configure file.  However,
> when I tried to use the "make all" command it started to compile but
> stopped in the file "fft_paralled.f90" on line 234 with the message
>   "mpi_double_complex has no implicit type".  I have run into the
> same error with OpenMpi-1.2.9 and Axel K. thought that it was
> due to problems with the OpenMpi.  It should be noted that espresso
> does compile properly in single mode.
>             Hopefully there is a simple work-around.

I am afraid this still means you have an improperly set up parallel

Are you sure the mpif90 is able to define MPI related parameters in
programs correctly?

check if the mpif.h can be found, you are using the mpif90/f90 pair
you intend to use (i.e. other broken installations in your path
interfering etc. )

The simple solution is to make sure you clean "everything" from your
old attempts to install parellel environment, make sure all the
environment variables are set such that the intended compiler you will
use is "default", and re-install parellel environment again. If this
does not work, another easy way is to blame the distro you are using
as broken and install a new one.

By the way, I really advise you -not- to use "prepackaged" parallel
environments (RPM etc.) . Download, and install yourself.

Baris Malcioglu

SISSA CM sector

>                             Amos Leffler
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