Re: [AMBER] Problem with parallel install

From: Maria Clelia Milletti <mmilletti.emich.edu>
Date: Tue, 19 Sep 2017 11:53:20 -0400

I do get
Hello
Hello

Maria C. Milletti
Professor of Chemistry
503A Science Complex
Eastern Michigan University
(734) 487-1183

On Tue, Sep 19, 2017 at 10:42 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> The errors in your log have to do with MPI, not with Amber itself. Are
> you able to use MPI to run a program at all? E.g.
>
> mpirun -n 2 echo Hello
>
> If the output is not just:
>
> Hello
> Hello
>
> then there is something wrong with the MPI installation on your machine.
>
> -Dan
>
> On Tue, Sep 19, 2017 at 10:35 AM, Maria Clelia Milletti
> <mmilletti.emich.edu> wrote:
> > Thank you, that worked.
> > I am now trying to install the parallel version on a different machine,
> > older but also a 12-core MacPro running OS 12.10.6
> > The ./configure -mpi gnu in $AMBERHOME is successful, but when I 'make
> > test', every test fails. I have attached the diff and log files.
> > Any help is greatly appreciated.
> >
> > Maria C. Milletti
> > Professor of Chemistry
> > 503A Science Complex
> > Eastern Michigan University
> > (734) 487-1183
> >
> > On Mon, Sep 18, 2017 at 4:33 PM, David A Case <david.case.rutgers.edu>
> > wrote:
> >
> >> On Mon, Sep 18, 2017, Maria Clelia Milletti wrote:
> >>
> >> > I'm having a problem installing the parallel version of
> >> > Amber16/AmberTools17 on a 12-core Intel XeonE5 MacPro (OS 10.12.6).
> >> > The serial installation was successful. I then downloaded mpich-3.2
> and
> >> > installed it from the AmberTools/src directory using the command
> >> > ./configure_mpich gnu
> >>
> >> > When I try to 'make test' I get the error
> >> > No rule to make target 'test'.
> >>
> >> What directory are you in when you issue this command? Note that, after
> >> running configure_mpich, you need to go back to $AMBERHOME, re-run
> >> configure
> >> with the "-mpi" option, then type "make install" followed by "make
> test".
> >>
> >> ....dac
> >>
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> > _______________________________________________
> > 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
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Sep 19 2017 - 09:00:02 PDT
Custom Search