Re: [AMBER] Amber compilation problems

From: David A Case <>
Date: Fri, 7 Oct 2016 11:48:43 -0400

On Thu, Oct 06, 2016, Fabrício Bracht wrote:

> Recently our cluster has gone through some updates and I had to recompile
> amber16. I am using intel compilers 2015 (icc version 15.0) and intel mpi.
> The serial compilation works, but when I try ./configure -intelmpi intel, I
> get the an error saying that I should check AmberTools/src/fftw3_config.log.
> The last 5 lines of fftw3_config.log are.
> checking for mpicc... mpiicc
> checking for MPI_Init... no
> checking for MPI_Init in -lmpi... no
> checking for MPI_Init in -lmpich... no
> configure: error: could not find mpi library for --enable-mpi

Can you post the contents of your config.h file? This is very reminiscent
of an earlier bug, one that presumably was fixed. You might also indicate
what the contents of your LD_LIBRARY_PATH variable is.

Do you have to use intelmpi? Might be worth a try with -mpi rather than


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Received on Fri Oct 07 2016 - 09:00:03 PDT
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