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
>>
>>
>> _______________________________________________
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>> 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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--
-------------------------
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
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Received on Fri Aug 04 2017 - 11:30:02 PDT
