AMBER Archive (2007)

Subject: Re: AMBER: problem in installing amber9 SOLVED!

From: Henk Meij (hmeij_at_wesleyan.edu)
Date: Wed Jun 13 2007 - 15:43:06 CDT


./configure linux_emt64t ifort mvapich

we changed from mpich to mvapich ... then set

MPI_HOME = /usr/local/topspin/mpi/mpich
MPI_LIBDIR2 = /usr/local/topspin/lib64

added this option

CFLAGS = -DDBL_C_UNDERSCORE

also added

F90FLAGS = -c -auto -assume 2underscore

and now we're cleanly compiling. what a journey. thanks a ton Ross.

-Henk

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