Re: [AMBER] OSX Mavericks: Failure in parallel installation of Amber12

From: Julio Dominguez <>
Date: Tue, 7 Jan 2014 02:46:05 +0000

Dear colleagues,
Here are my two cents.
The setup, a clean Mavericks install. Intel fortran and C compilers, amber and MPICH source code.
After installing the Intel compilers, decompressing ambertools and amber, serial compilation works fine with the command:
./configure -macAccelerate intel && make install
then, I downloaded MPICH, wget I umpacked, compile and install it. Then, back to amber:
./configure -macAccelerate -mpi intel && make install
Bottom line, if you can get the intel compilers use them.Alternatively, maybe compiling mpich outside macports might be the ticket. If I have a few free housr this week, I might try that.
Best regards.
Subject: OSX Mavericks: Failure in parallel installation of Amber12
Date: Fri, 3 Jan 2014 12:13:18 +0100

I’m been trying to install Amber12 parallel in a brand new hard drive (no previous installations of any kind). The operating system is OSX 10.9.1
Previously (15/11/13) Julio Dominguez reported that the new Xcode comes without command line tools and that one would have to install these by typing: Xcode-select —install. This is correct and maybe Jason could make an addition on his wikidot page (
I also noticed that trying to install mpich by MacPorts (sudo port install mpich +gcc47) give the following error:
Error: org.macports.configure for port mpich returned: obsolete portPlease see the log file for port mpich for details: /opt/local/var/macports/logs/_opt_local_var_macports_sources_rsync.macports.org_release_tarballs_ports_science_mpich/mpich/main.log
The log file (see end of this message) indicates that mpich-default should be installed instead.
Thus, I run sudo port install mpich-default +gcc47. It run without problems producing the following output:
+--- MPICH Usage note ----| The mpi[cc|cxx|f77|f90] weappers are installed as | mpi[cc|cxx|f77|f90]-mp. To make mpich-default the default (i.e. the| version you get when you run 'mpicc/mpicxx'), please run:| | sudo port select --set mpich mpich-mp-fortran
I did < sudo port select —set mpich mpich-mp-fortran > and followed with the command < sudo port select gcc mp-gcc47 > which succeeded and activated mp-gcc47
Parallel < make install > produced fatal errors (see below). Any help in troubleshooting this will be much appreciated In file included from lmodC.c:17:/opt/local/include/mpi.h:166:53: error: expected identifierstatic const MPI_Datatype mpich_mpi_double_int MPICH_ATTR_TYPE_TAG_…
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Received on Mon Jan 06 2014 - 19:00:02 PST
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