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
Received on Tue Sep 19 2017 - 08:00:05 PDT
