installing lammps on linux cluster...

Dear All,

I am trying to install lammps and FFTW on a linux cluster called CyStorm (http://hpcgroup.public.iastate.edu/HPC/CyStorm/) in my local directory and OpenMPI.
I have built Lapack and FFT libraries successfully but when I am trying to make the lammps it raises error regarding finding fftw. I have attached the lammps makefile (Makefile.openmpi), the output of fft make check(check.info), and the error that I am getting from lammps makefile (make output.openmpi).
I have looked though different threads and none of the suggestions had been helpful by now.
I would appreciate if you could help me on this.

With best regards,
Kasra.

Makefile.openmpi (3.17 KB)

makeoutput.openmpi (14.3 KB)

check.info (43.6 KB)

Dear All,

I am trying to install lammps and FFTW on a linux cluster called CyStorm
(http://hpcgroup.public.iastate.edu/HPC/CyStorm/) in my local directory and
OpenMPI.
I have built Lapack and FFT libraries successfully but when I am trying to
make the lammps it raises error regarding finding fftw. I have attached the
lammps makefile (Makefile.openmpi), the output of fft make
check(check.info), and the error that I am getting from lammps makefile
(make output.openmpi).
I have looked though different threads and none of the suggestions had been
helpful by now.
I would appreciate if you could help me on this.

the simplest way to overcome FFTW related issues is to compile LAMMPS
with the internal FFT. it is only marginally slower for typical jobs
and usually not that big of a deal unless for some specific cases.

there is not much else to recommend, because there is not sufficient
information in your provided files. most likely, you didn't
install/compile fftw correctly or are not referencing it correctly.

have you talked to the local support people of that cluster?

axel.