[AMBER] Installing Amber parallel option

From: Roy Ashworth <roy.ashworth.bristol.ac.uk>
Date: Thu, 15 Aug 2019 11:00:40 +0000

I am installing Amber for the first time and have encountered a problem (as root on a Linux system, Centos 6.2). The serial installation appears to have worked successfully but a problem arises with installing the parallel version.
I have copied the commands and output below and would appreciate any assistance.

# source /share/apps/amber/amber18/amber.sh

# ./configure -mpi mpicc
Checking for updates...
Checking for available patches online. This may take a few seconds...

Available AmberTools 19 patches:

No patches available

Available Amber 18 patches:

No patches available


Using the AmberTools miniconda installation in /share/apps/amber/amber18/miniconda
version 2.7.16
Error: Architecture/compiler 'mpicc' is not supported!
       Usage: ./configure [flags] compiler
       Type './configure -help' for more details.
Configure failed due to the errors above!

# yum install openmpi
Setting up Install Process
Package openmpi-1.5.3-3.el6.x86_64 is obsoleted by openmpi-1.5.4-1.5.4-5.el6.x86_64 which is already installed
Nothing to do

# which mpicc

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Received on Thu Aug 15 2019 - 04:30:02 PDT
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