[AMBER-Developers] Intel MPI in configure?

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 1 Apr 2014 09:35:35 -0600

Hi all,

It seems that now when configuring with '-mpi' and 'intel' there is a new
check for intel MPI by default (line 1013 of configure2). However, the
check is broken. The code looks like this:

...
if [ "$mpi" = 'yes' ]; then
      mpiifort_version=`mpiifort -v 2>&1`
      mpiifort_version=`echo $mpiifort_version | sed -e
's/mpiifort.*Library //g' -e 's/for Linux.*//g' -e 's/\.0.*//g' -e
's/bash.*found//g' -e 's/mpiifort.*license.*//g'`
      if [ "$mpiifort_version" > /dev/null ] ; then
         echo " Detected mpiifort version $mpiifort_version"
         ld=' mpiifort'
      else
       ld=' mpif90 '
      fi
...

However, what ends up happening when Intel MPI is not present is 'command
not found' gets set in $mpiifort_version, so the subsequent check thinks
everything is cool and that mpiifort is present when it actually isn't
(here is the configure output):

   Detected mpiifort version ./configure2: line 1014: mpiifort: command not
found
   Detected mpiicc version ./configure2: line 1022: mpiicc: command not
found

This check can be fixed, but the larger issue I think is configure
shouldn't assume intel MPI will be used with Intel compilers. Instead, I
think this should be a separate flag like '-intelmpi' that users can
specify if they want mpiifort etc used instead of mpif90. Thoughts?

-Dan

-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Apr 01 2014 - 09:00:03 PDT
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