On Feb 3, 2010, at 6:15 AM, pelaez.usal.es wrote:
> Hi all,
>
> I am trying to compile AMBER 9 on a Mac Pro 4.1 (2 x 2.26 GHz Quad-Core
> Intel Xeon) with Mac OS X vers 10.6.1 (Snow Leopard). I have successfully
> installed the serial version.
>
> When trying to install the parallel version, I have found the following
> problem:
>
> MacPro:src root# make clean
> OUTPUT at the bottom of the message: CLEAN.LOG
> MacPro:src root# ./configure -openmpi ifort_macosx
> OUTPUT at the bottom of the message: CONFIG.LOG
> MacPro:src root# make parallel
> OUTPUT at the bottom of the message: MAKE.LOG
[snip]
Just to add my two cents.
Since the problems you have are related to openmpi, I would like to suggest you try to compile parallel with mpich2 on the mac.
Mpich2 uses up each and every bit of processor it can get on a single SMP mac.
Additionally, if you need to perform REMD with 4 procs, and you only physically have 2, mpich2 will happily open 4 threads, allowing the REMD run to proceed, whereas openmpi will just bomb and complain that you don't have enough cores to run the simulation.
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Received on Wed Feb 03 2010 - 06:30:02 PST
