Re: [AMBER] compiling Amber with gcc 9.2 and intel mpi 2019

From: David A Case <>
Date: Mon, 28 Oct 2019 14:48:46 -0400

On Mon, Oct 28, 2019, Vlad Cojocaru wrote:
>I am trying to compile Amber 18 with AmberTools 19 on a supercomputer.
>I tried using the default environment that provides intel mpi 2019 and
>gcc 9.2.0 ... However, when trying to compile the MPI executables I
>get the error attached here ...

[SANDER] FC remd.F90
f951: Fatal Error: Reading module ‘mpi’ at line 1 column 2: Unexpected EOF
compilation terminated.

Vlad: the mpi module that remd.F90 is looking for in its "use mpi" statment
does not come from Amber, but rather from your mpi installation. Are
you sure your MPI stack was compiled with gcc9.2? A quick look at the
output of 'mpicc -show' might help.

My suggestion (as usual): use the configure_mpich script in
AMBERHOME/AmberToosl/src to build your own MPI, making sure it is using
the same compilers you are using to build the rest of Amber.

Of course, the problem could be elsewhere, but your error message looks
like an incomptibility between the compiler and the module file for mpi.


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Received on Mon Oct 28 2019 - 12:00:03 PDT
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