[AMBER] Compiling amber12 with openmp

From: Quentin Kaas <q.kaas.imb.uq.edu.au>
Date: Tue, 18 Feb 2014 15:09:34 +1000

   Hi all,
   I tried to re-install amber12 using openmp and the recent patches and the
   build failed with the message:
   ```
   make[1]: *** No rule to make target `openmp', needed by `install'. Stop.
   ```
   I followed the instructions in manual: changed directory to AmberTools/src,
   uncompressed openmpi-1.5.5.tar.bz2, run "./configure_openmpi gnu", changed
   directory to $AMBERHOME, run "./configure -openmp gnu" and then "make
   install".
   It seems that the configure script set the vaiable "INSTALLTYPE" to "openmp"
   which might be a problem as "openmp" is not recognised by the in the
   $AMBERHOME/src/MakeFile.
   Changing manually INSTALLTYPE to 'parallel' does not solve the problem as
   the config.h is not recognised as of a parallel type because it does not
   contain the DMPI keyword. Make returns the following error message
   ```
   Error: config.h is not of type parallel!
   Rerun ./configure and specify an MPI implementation.
   ```
   Which I already did as I ran it with the -openmp option...
   Could someone provide some help in compiling amber 12 with openmp using the
   last pacthes.
   Thank you
   Quentin

   --
-------------------------------------
Quentin Kaas, PhD
Institute for Molecular Bioscience IMB (L2N)
Laboratory of David Craik
The University of Queensland, St Lucia campus
Brisbane 4072, Queensland, Australia
Tel: +61 7 3346 2021
-------------------------------------
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Received on Mon Feb 17 2014 - 21:30:03 PST
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