HI
Please use the same compiler as your serial compilation, I assume gnu.
This should be your command >> ./configure -mpi gnu
Best Regards
On Thu, 15 Aug 2019 at 16:33, Roy Ashworth <roy.ashworth.bristol.ac.uk>
wrote:
> 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.
> Roy
>
>
> # source /share/apps/amber/amber18/amber.sh
> # cd $AMBERHOME
>
> # ./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
>
>
> AMBER_PREFIX=/share/apps/amber/amber18
> AMBER_SOURCE=/share/apps/amber/amber18
>
> 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
> /opt/openmpi/bin/mpicc
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 15 2019 - 04:30:03 PDT
