Re: [AMBER] Amber16 -mpt-2.15-gcc/6.1.0-RHEL7.3- compilation error

From: David Case <>
Date: Wed, 8 Feb 2017 10:42:55 -0500

On Wed, Feb 08, 2017, Sudhakar Lakkaraju wrote:
> I'm trying to compile Amber16 with MPT/2.15 and GCC/6.1.0 on RHEL 7.3.

I'm thinking that no one has ever tried this before, particularly on
the recently-added "nfe" capability, which was added to Amber last
July. Can you try an MPI implementation like mpich or openmpi (see
$AMBERHOME/AmberTools/src/configure_mpich or configure_openmpi)?

Can you say where the MPT implementation came from? (Is it a standard
package on RHEL 7?) And, is your gfortran also at version 6.1.0?

Note to other developers: this problem is in the pmemd version, not the sander

> Error: Common block member ‘mpi_status_ignore’ at (1) cannot be an
> EQUIVALENCE object in the pure procedure ‘pythag’
> nfe_colvar.F90:9994:7:
> use nfe_lib_mod


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Received on Wed Feb 08 2017 - 08:00:02 PST
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