Thanks guys. It made it through compilation.
On Fri, Aug 4, 2017 at 1:24 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> If you use ./configure_mpich then MPI will be installed inside
> $AMBERHOME, so when you source $AMBERHOME/amber.sh or
> $AMBERHOME/amber.csh you will automatically have the right paths set.
>
> -Dan
>
> On Fri, Aug 4, 2017 at 12:00 PM, Milo Westler <milo.nmrfam.wisc.edu>
> wrote:
> > 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
> >>
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
> >
> > --
> > -- 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
>
>
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-- 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 - 13:00:02 PDT
