Re: [AMBER] mpi installation problem

From: David Case <>
Date: Sat, 2 Feb 2019 17:07:51 +0000

On Fri, Feb 01, 2019, Prabir Khatua wrote:
>I am experiencing a problem in installing Amber 14 with Amber15Tools with
>mpi. Following is the error that I am getting while I was trying to
>configure it with mpi
>Error: FFTW configure returned 1
> FFTW configure failed! Check the fftw3_config.log file
> in the /home/prabir/SOFTWARE/AMBER/AMBER14/amber14/AmberTools/src

So: what was the result of looking at the log file described above?
That will tell you what the problem is. Be sure that files like mpicc
are in your $PATH, and that the compilers used match those you used of
the serial installation--type "mpicc -show" to find this out.

But this is all guesswork: look at the log file and see if that helps.
If you still have problems, please let us know what is in that file.

...good luck....dac

p.s. Amber14 is five years old, which is a long time in software terms.
Consider upgrading to AmberTools18.

AMBER mailing list
Received on Sat Feb 02 2019 - 09:30:03 PST
Custom Search