Re: [AMBER] Compilation of Amber 14

From: Milo Westler <milo.nmrfam.wisc.edu>
Date: Fri, 4 Aug 2017 11:00:39 -0500

Thanks Dave,
I used configure_mpich and it worked, but I am not sure what path to give
for MPI_HOME.

On Thu, Aug 3, 2017 at 8:20 PM, David A Case <dacase.chem.rutgers.edu>
wrote:

> On Thu, Aug 03, 2017, Milo Westler wrote:
>
> > I am trying to compile Amber 14 on Centos 6.9. When installing mpich2,
> yum
> > replies that this package is obsoleted and will be replaced with a newer
> > mpich.
>
> Many years ago, "mpich2" was a replacement for "mpich". A few years
> after that, "mpich2" was renamed "mpich", and (as yum tells you) "mpich2"
> is now very obsolete.
>
> Try using the comfigure_mpich tool in $AMBERHOME/AmberTools/src:
> it will set up everying in the correct places for proper Amber
> installation.
> Unless your hardware requires a special version of MPI, using
> configure_mpich
> is (in my view) the best way to proceed, especially if you are having
> problems.
>
> ....dac
>
>
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>



-- 
-- Milo
===================================================
National Magnetic Resonance Facility at Madison
      An NIH-Supported Resource Center
W. Milo Westler, Ph.D.
NMRFAM Director
Senior Scientist
       and
Adjunct Professor
Department of Biochemistry
University of Wisconsin-Madison
DeLuca Biochemistry Laboratories
433 Babcock Drive
Rm B160D
Madison, WI USA 53706-1544
EMAIL: milo.nmrfam.wisc.edu
PHONE: (608)-263-9599
FAX: (608)-263-1722
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Received on Fri Aug 04 2017 - 09:30:02 PDT
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