[AMBER] Install problems fftw for AMBER16

From: Seibold, Steve Allan <stevesei.ku.edu>
Date: Tue, 26 Jun 2018 18:10:22 +0000


I am running on an ubuntu 16.04 system.

I first installed mpich by:

./configure --prefix=/usr/local/mpich-3.1.4
make -j8
make install

I then ran ./configure gnu

make -j8

make install

(To install AMBER16 serial version)

 I then installed fftw3.3 by:

sudo apt-get install fftw3.3

Then I ran ./configure -mpi gnu and got the error:

Error: FFTW configure returned 1
       FFTW configure failed! Check the fftw3_config.log file
       in the /usr/local/amber16/AmberTools/src directory.
Configure failed due to the errors above!

I checked into log file and found:

"configure: error: could not find mpi library for --enable-mpi"..

I saw "on-line" that this is a problem that might be solved by:

cd $AMBERHOME/AmberTools/src
./configure_mpich gnu "

I am guessing then that it is not a "location" problem for my mpi libraries??

Is this still thought to be the best solution?

Thanks for your help, Steve

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Received on Tue Jun 26 2018 - 11:30:02 PDT
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