Re: [ESPResSo-users] Error during Espresso Installation

[Axel Arnold]

On 04.07.14 19:09, padidela uday wrote:
> Hii,
>
> Can anyone please help me in installation of ESPResSo.
>
> During installation i am facing problem with MPI
>
> ****************************************************************
> *      Checking compiler characteristics and MPI support       *
> ****************************************************************
> checking for style of include used by make... GNU
> checking whether to compile using MPI... yes
> checking for mpicc... mpicc
> checking for gcc... (cached) mpicc
> checking whether the C compiler works... yes
> checking for C compiler default output file name... a.out
> checking for suffix of executables...
> checking whether we are cross compiling... configure: error: in 
> `/home/uday/espresso-3.2.0':
> configure: error: cannot run C compiled programs.
> If you meant to cross compile, use `--host'.
> See `config.log' for more details

It looks like programs compiled with mpicc cannot be run directly on 
your system. You need to check with the documentation of your system how 
to run mpi programs. If you cannot run them without using mpiexec or so, 
you need to cross compile, as the message says, however often, you are 
just lacking some "module load" commands, which you get from the 
documentation of your cluster.

> I used ./configure --without-mpi to get rid of this error...
>
> Later i faced problem with cuda
>
> Other settings
> --------------
> local config header    = myconfig.h
> installation prefix    = /root/Espresso
> number of test tasks    =
> mympiexec               = /home/uday/espresso-3.2.0/mympiexec.sh
> mpiexec                 = /usr/local/bin/mpiexec
> pdflatex        = no
> makeindex        = no
> bibtex            = no
> doxygen            = /usr/bin/doxygen
> dot            =
> python            = /usr/bin/python -B
>
> CUDA disabled or not supported.
>
> Again I used --without-cuda. But it gives again same MPI error..

What problem with CUDA? It is just disabled, presumably because there is 
no cuda environment installed on your system. For most algorithms, you 
don't need CUDA, and if you do, the machine has to be equipped with high 
end NVIDIA GPUs.

Axel

--
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609