[AMBER] Compilation of Amber 14

From: Milo Westler <milo.nmrfam.wisc.edu>
Date: Thu, 3 Aug 2017 15:01:10 -0500

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.

Problems:
1).
path to mpchi2 is /usr/local/mpich2-1.4.1p1
path tp mpich is /usr/lib64/mpich
so I changed the MPI_HOME to /usr/lib64/mpich
2).
./configure -cuda -mpi gnu gives in fftw3_config.log:
configure: error: could not find mpi library for --enable-mpi

-- 
-- 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
=======================================================================
========
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Thu Aug 03 2017 - 13:30:02 PDT